N-(2-chloro-5-methoxyphenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chloro-5-methoxyphenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2-chloro-5-methoxyphenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C200-6665 |
| Compound Name: | N-(2-chloro-5-methoxyphenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C25 H22 Cl N3 O3 S |
| Smiles: | COc1cccc(c1)C1CC(=Nc2ccccc2N=1)SCC(Nc1cc(ccc1[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9991 |
| logD: | 4.9968 |
| logSw: | -5.208 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.729 |
| InChI Key: | OKPOLYWAHMZJFT-UHFFFAOYSA-N |