N-(3,5-dichlorophenyl)-2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,5-dichlorophenyl)-2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3,5-dichlorophenyl)-2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8018-2441 |
| Compound Name: | N-(3,5-dichlorophenyl)-2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 474.37 |
| Molecular Formula: | C21 H17 Cl2 N5 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1n1cccc1)SCC(Nc1cc(cc(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4738 |
| logD: | 5.464 |
| logSw: | -6.0579 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.84 |
| InChI Key: | YYCGXLJNHAWUIG-UHFFFAOYSA-N |