2-({[5-(methoxymethyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
2-({[5-(methoxymethyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
2-({[5-(methoxymethyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | V029-5562 |
| Compound Name: | 2-({[5-(methoxymethyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide |
| Molecular Weight: | 542.58 |
| Molecular Formula: | C27 H25 F3 N4 O3 S |
| Salt: | not_available |
| Smiles: | COCc1nnc(n1c1ccc(cc1)OC)SCc1ccccc1C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9682 |
| logD: | 4.9681 |
| logSw: | -4.7502 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.341 |
| InChI Key: | SHIZBKHBNRLQRV-UHFFFAOYSA-N |