2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G681-0783 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C25 H22 Cl N3 O3 S |
| Smiles: | COc1cc(cc(c1)OC)NC(CSC1CC(c2ccc(cc2)[Cl])=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4084 |
| logD: | 5.4075 |
| logSw: | -5.9438 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.426 |
| InChI Key: | YFMVQWHCMULAOD-UHFFFAOYSA-N |