N-[(4-chlorophenyl)methyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[(4-chlorophenyl)methyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-0051 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 399.9 |
| Molecular Formula: | C19 H18 Cl N5 O S |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCC(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8367 |
| logD: | 2.8242 |
| logSw: | -3.5779 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.208 |
| InChI Key: | OFQUEHJTSAQRJA-UHFFFAOYSA-N |