N-(2H-1,3-benzodioxol-5-yl)-2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L389-0135 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C27 H25 N3 O3 S |
| Smiles: | Cc1ccc(cc1)C1CC(=Nc2cc(C)c(C)cc2N=1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8838 |
| logD: | 5.8779 |
| logSw: | -5.4697 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.454 |
| InChI Key: | ALCXSOJYPNWGBB-UHFFFAOYSA-N |