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100827-83-6,MFCD23160231
Catalog No.:AA0002WI

100827-83-6 | 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-propanoic acid, 4-(2-chlorophenyl)-9-methyl-, methyl ester

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Technical Information
Catalog Number:
AA0002WI
Chemical Name:
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-propanoic acid, 4-(2-chlorophenyl)-9-methyl-, methyl ester
CAS Number:
100827-83-6
Molecular Formula:
C19H17ClN4O2S
Molecular Weight:
400.8819
MDL Number:
MFCD23160231
SMILES:
COC(=O)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl
Properties
Computed Properties
 
Complexity:
592  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
5  
XLogP3:
1.9  

Literature
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Additional Info:
SDS
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Tags:100827-83-6 Molecular Formula|100827-83-6 MDL|100827-83-6 SMILES|100827-83-6 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-propanoic acid, 4-(2-chlorophenyl)-9-methyl-, methyl ester