ethyl {4-[(1-oxo-1-{[(thiophen-2-yl)methyl]amino}propan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
ethyl {4-[(1-oxo-1-{[(thiophen-2-yl)methyl]amino}propan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
ethyl {4-[(1-oxo-1-{[(thiophen-2-yl)methyl]amino}propan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
Compound ID: | F405-0427 |
Compound Name: | ethyl {4-[(1-oxo-1-{[(thiophen-2-yl)methyl]amino}propan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
Molecular Weight: | 429.56 |
Molecular Formula: | C21 H23 N3 O3 S2 |
Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SC(C)C(NCc1cccs1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7305 |
logD: | 3.7305 |
logSw: | -3.9492 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.038 |
InChI Key: | SOKOKXNSLCDGHA-AWEZNQCLSA-N |