methyl [4-({1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
methyl [4-({1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
methyl [4-({1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0187 |
| Compound Name: | methyl [4-({1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1)C(C)C)=O)SC1C=C(CC(=O)OC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6408 |
| logD: | 5.6408 |
| logSw: | -5.4342 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.117 |
| InChI Key: | LLANITUIKQFUNR-QFIPXVFZSA-N |