N-(3-chloro-4-methylphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9701 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 429.95 |
| Molecular Formula: | C19 H16 Cl N5 O S2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1nnc(c2cccs2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0715 |
| logD: | 5.0714 |
| logSw: | -5.3375 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.314 |
| InChI Key: | OPSCMZAGCXYIIT-UHFFFAOYSA-N |