N-(3,4-dichlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3,4-dichlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0332 |
| Compound Name: | N-(3,4-dichlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 470.38 |
| Molecular Formula: | C22 H17 Cl2 N5 O S |
| Smiles: | C=CCn1c(c2ccc3ccccc3n2)nnc1SCC(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.765 |
| logD: | 5.7568 |
| logSw: | -6.2281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.699 |
| InChI Key: | CKILHABSAPEGCI-UHFFFAOYSA-N |