2-{[5-(3,4-dichlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[5-(3,4-dichlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[5-(3,4-dichlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-9414 |
| Compound Name: | 2-{[5-(3,4-dichlorophenyl)-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=CCn1c(c2ccc(c(c2)[Cl])[Cl])nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1624 |
| logD: | 3.1624 |
| logSw: | -3.4841 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.879 |
| InChI Key: | HKMZEUXHVZKDRC-UHFFFAOYSA-N |