N-(3,4-dichlorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3,4-dichlorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7658 |
| Compound Name: | N-(3,4-dichlorophenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 368.24 |
| Molecular Formula: | C14 H11 Cl2 N5 O S |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])[Cl])=O)Sc1nncn1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3349 |
| logD: | 3.3267 |
| logSw: | -3.5682 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.902 |
| InChI Key: | MXOMIKGALIMLOI-UHFFFAOYSA-N |