N-(2,4-dimethoxyphenyl)-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2,4-dimethoxyphenyl)-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0096 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | Cc1ccc(cc1)C1CC(=Nc2ccccc2N=1)SCC(Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8432 |
| logD: | 4.8424 |
| logSw: | -4.5985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.815 |
| InChI Key: | MBNHJTWOLLSMOK-UHFFFAOYSA-N |