N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8014-1535 |
| Compound Name: | N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 517.46 |
| Molecular Formula: | C22 H18 Cl2 N6 O S2 |
| Smiles: | C=CCn1c(c2ccncc2)nnc1SCC(Nc1ncc(Cc2cc(ccc2[Cl])[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5299 |
| logD: | 5.5272 |
| logSw: | -6.005 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.093 |
| InChI Key: | RJQGTGWJMACODH-UHFFFAOYSA-N |