N-(2,5-dichlorophenyl)-2-{[4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dichlorophenyl)-2-{[4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,5-dichlorophenyl)-2-{[4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-6838 |
| Compound Name: | N-(2,5-dichlorophenyl)-2-{[4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 343.23 |
| Molecular Formula: | C13 H12 Cl2 N4 O S |
| Smiles: | C=CCn1cnnc1SCC(Nc1cc(ccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5847 |
| logD: | 2.5747 |
| logSw: | -3.3341 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.606 |
| InChI Key: | NDOFODPNTLKTAU-UHFFFAOYSA-N |