ethyl 4-{2-[(7,8-dimethyl-4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(7,8-dimethyl-4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(7,8-dimethyl-4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | L389-0016 |
| Compound Name: | ethyl 4-{2-[(7,8-dimethyl-4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C28 H27 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1CC(c2ccccc2)=Nc2cc(C)c(C)cc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1237 |
| logD: | 6.1177 |
| logSw: | -5.4933 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.093 |
| InChI Key: | FXIOCODZKLQFNN-UHFFFAOYSA-N |