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 |