N-(2-chlorophenyl)-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-(2-chlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-chlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0334 |
| Compound Name: | N-(2-chlorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C22 H18 Cl N5 O S |
| Smiles: | C=CCn1c(c2ccc3ccccc3n2)nnc1SCC(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3415 |
| logD: | 4.3413 |
| logSw: | -4.4694 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.001 |
| InChI Key: | NYYUMKZGTCIDAU-UHFFFAOYSA-N |