2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | V027-5099 |
| Compound Name: | 2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide |
| Molecular Weight: | 509.55 |
| Molecular Formula: | C26 H22 F3 N5 O S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCc1ccccc1C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9874 |
| logD: | 4.9747 |
| logSw: | -4.7559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.15 |
| InChI Key: | PCBQUZNVZZNLPQ-UHFFFAOYSA-N |