N-(3-chloro-4-methylphenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7909 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C22 H20 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1nnc(c2ccccc2OC)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9503 |
| logD: | 4.9502 |
| logSw: | -4.9886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.926 |
| InChI Key: | HBULMWAJXOEHJV-UHFFFAOYSA-N |