N-(3,4-dimethoxyphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(3,4-dimethoxyphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0479 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C26 H25 N3 O4 S |
| Smiles: | COc1ccc(cc1)C1CC(=Nc2ccccc2N=1)SCC(Nc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1919 |
| logD: | 4.1912 |
| logSw: | -4.3749 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.144 |
| InChI Key: | UMYSNEUDKQBLJI-UHFFFAOYSA-N |