2-({[4-(4-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
2-({[4-(4-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
2-({[4-(4-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | V027-7013 |
| Compound Name: | 2-({[4-(4-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide |
| Molecular Weight: | 530.54 |
| Molecular Formula: | C26 H22 F4 N4 O2 S |
| Salt: | not_available |
| Smiles: | COCc1nnc(n1c1ccc(cc1)F)SCc1ccccc1C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0149 |
| logD: | 5.0148 |
| logSw: | -4.756 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.797 |
| InChI Key: | PPNIAHAKFHLWJX-UHFFFAOYSA-N |