methyl 4-{2-[(7,8-dimethyl-4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(7,8-dimethyl-4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(7,8-dimethyl-4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | L389-0014 |
| Compound Name: | methyl 4-{2-[(7,8-dimethyl-4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C27 H25 N3 O3 S |
| Smiles: | Cc1cc2c(cc1C)N=C(CC(c1ccccc1)=N2)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.613 |
| logD: | 5.607 |
| logSw: | -5.4783 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.513 |
| InChI Key: | JTYHBJPJUZUMEK-UHFFFAOYSA-N |