N-(2,5-dichlorophenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dichlorophenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,5-dichlorophenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7667 |
| Compound Name: | N-(2,5-dichlorophenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 382.27 |
| Molecular Formula: | C15 H13 Cl2 N5 O S |
| Smiles: | Cc1nnc(n1n1cccc1)SCC(Nc1cc(ccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7821 |
| logD: | 2.7721 |
| logSw: | -3.4203 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.647 |
| InChI Key: | XLRADLDNSWTNJZ-UHFFFAOYSA-N |