N-(2-chloro-3-methylphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chloro-3-methylphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2-chloro-3-methylphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0510 |
| Compound Name: | N-(2-chloro-3-methylphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 463.98 |
| Molecular Formula: | C25 H22 Cl N3 O2 S |
| Smiles: | Cc1cccc(c1[Cl])NC(CSC1CC(c2ccc(cc2)OC)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5506 |
| logD: | 5.5497 |
| logSw: | -5.8143 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.185 |
| InChI Key: | KGIPJONFQKHBHD-UHFFFAOYSA-N |