ethyl 4-{2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G681-0056 |
| Compound Name: | ethyl 4-{2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C26 H23 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1CC(c2ccccc2)=Nc2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.171 |
| logD: | 5.1702 |
| logSw: | -5.1151 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.093 |
| InChI Key: | FAUUAGPCZFMNNF-UHFFFAOYSA-N |