methyl {4-[(1-anilino-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {4-[(1-anilino-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
methyl {4-[(1-anilino-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0216 |
| Compound Name: | methyl {4-[(1-anilino-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | CC(C(Nc1ccccc1)=O)SC1C=C(CC(=O)OC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5938 |
| logD: | 3.5938 |
| logSw: | -3.9123 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.117 |
| InChI Key: | PDEFSLGCACWQTR-AWEZNQCLSA-N |