ethyl [4-({1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0412 |
| Compound Name: | ethyl [4-({1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1)C(C)C)=O)SC1C=C(CC(=O)OCC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0934 |
| logD: | 6.0934 |
| logSw: | -5.5154 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.697 |
| InChI Key: | SVNDKGHKILIFDL-QHCPKHFHSA-N |