N-cyclopropyl-2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-cyclopropyl-2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
N-cyclopropyl-2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V030-6225 |
| Compound Name: | N-cyclopropyl-2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 508.56 |
| Molecular Formula: | C27 H23 F3 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1cccc(c1)C(F)(F)F)SCc1ccccc1C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.621 |
| logD: | 6.621 |
| logSw: | -5.7645 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.182 |
| InChI Key: | KMHRUHBXWBVQSY-UHFFFAOYSA-N |