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1017241-36-9,MFCD18379579
Catalog No.:AA00058T

1017241-36-9 | 2-Propanone, 1-[4,5-dihydro-2-(4-methyl-1-piperazinyl)-4-thioxo-3H-1,5-benzodiazepin-3-ylidene]-, (1Z)-

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Technical Information
Catalog Number:
AA00058T
Chemical Name:
2-Propanone, 1-[4,5-dihydro-2-(4-methyl-1-piperazinyl)-4-thioxo-3H-1,5-benzodiazepin-3-ylidene]-, (1Z)-
CAS Number:
1017241-36-9
Molecular Formula:
C17H20N4OS
Molecular Weight:
328.4319
MDL Number:
MFCD18379579
SMILES:
CN1CCN(CC1)c1nc2ccccc2[nH]c(=S)/c/1=C\C(=O)C
Properties
Computed Properties
 
Complexity:
704  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.4  

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Tags:1017241-36-9 Molecular Formula|1017241-36-9 MDL|1017241-36-9 SMILES|1017241-36-9 2-Propanone, 1-[4,5-dihydro-2-(4-methyl-1-piperazinyl)-4-thioxo-3H-1,5-benzodiazepin-3-ylidene]-, (1Z)-