ethyl 4-(2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L389-0133 |
| Compound Name: | ethyl 4-(2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C29 H29 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1CC(c2ccc(C)cc2)=Nc2cc(C)c(C)cc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6521 |
| logD: | 6.6461 |
| logSw: | -5.5638 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.093 |
| InChI Key: | RSKZMPXVLXRFBE-UHFFFAOYSA-N |