ethyl [7,8-dimethyl-4-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [7,8-dimethyl-4-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [7,8-dimethyl-4-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0688 |
| Compound Name: | ethyl [7,8-dimethyl-4-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2cc(C)c(C)cc2N1)SCC(Nc1ccc(cc1)C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0474 |
| logD: | 6.0473 |
| logSw: | -5.4854 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.484 |
| InChI Key: | ICTHJNMFHWJYGK-UHFFFAOYSA-N |