N-(5-chloro-2-methoxyphenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7882 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 445.97 |
| Molecular Formula: | C21 H24 Cl N5 O2 S |
| Smiles: | COc1ccc(cc1NC(CSc1nnc(C2CCCCC2)n1n1cccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4258 |
| logD: | 4.4221 |
| logSw: | -4.614 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.421 |
| InChI Key: | LNUQSNJXPCWYCA-UHFFFAOYSA-N |