ethyl [4-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0239 |
| Compound Name: | ethyl [4-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1ccc(cc1)C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1157 |
| logD: | 5.1157 |
| logSw: | -4.9033 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.484 |
| InChI Key: | BCWZLNVAYDIKKJ-UHFFFAOYSA-N |