N-(5-chloro-2-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0515 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C25 H22 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1)C1CC(=Nc2ccccc2N=1)SCC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9099 |
| logD: | 4.9045 |
| logSw: | -5.0505 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.815 |
| InChI Key: | KBLKQDPXIFMXAS-UHFFFAOYSA-N |