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1956322-14-7,MFCD29917117
Catalog No.:AA01DG6E

1956322-14-7 | Benzyl 4-(dimethylamino)-2-(methylsulfonyl)-8,9-dihydro-5h-pyrimido[4,5-d]azepine-7(6h)-carboxylate

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contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
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  • Download SDS
Technical Information
Catalog Number:
AA01DG6E
Chemical Name:
Benzyl 4-(dimethylamino)-2-(methylsulfonyl)-8,9-dihydro-5h-pyrimido[4,5-d]azepine-7(6h)-carboxylate
CAS Number:
1956322-14-7
Molecular Formula:
C19H24N4O4S
Molecular Weight:
404.4833
MDL Number:
MFCD29917117
SMILES:
O=C(N1CCc2c(CC1)nc(nc2N(C)C)S(=O)(=O)C)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
630  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Literature
Quotation Request
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SDS
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Tags:1956322-14-7 Molecular Formula|1956322-14-7 MDL|1956322-14-7 SMILES|1956322-14-7 Benzyl 4-(dimethylamino)-2-(methylsulfonyl)-8,9-dihydro-5h-pyrimido[4,5-d]azepine-7(6h)-carboxylate
Catalog No.: AA01DG6E
1956322-14-7,MFCD29917117
1956322-14-7 | Benzyl 4-(dimethylamino)-2-(methylsulfonyl)-8,9-dihydro-5h-pyrimido[4,5-d]azepine-7(6h)-carboxylate
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA01DG6E
Chemical Name: Benzyl 4-(dimethylamino)-2-(methylsulfonyl)-8,9-dihydro-5h-pyrimido[4,5-d]azepine-7(6h)-carboxylate
CAS Number: 1956322-14-7
Molecular Formula: C19H24N4O4S
Molecular Weight: 404.4833
MDL Number: MFCD29917117
SMILES: O=C(N1CCc2c(CC1)nc(nc2N(C)C)S(=O)(=O)C)OCc1ccccc1
Properties
Complexity: 630  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 28  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
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