N-methyl-3-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-propylbenzamide
Chemical Structure Depiction of
N-methyl-3-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-propylbenzamide
N-methyl-3-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-propylbenzamide
Compound characteristics
| Compound ID: | V030-6950 |
| Compound Name: | N-methyl-3-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-propylbenzamide |
| Molecular Weight: | 448.51 |
| Molecular Formula: | C22 H23 F3 N4 O S |
| Salt: | not_available |
| Smiles: | CCCN(C)C(c1cccc(CSc2nnc(C)n2c2cccc(c2)C(F)(F)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7258 |
| logD: | 3.7258 |
| logSw: | -3.9274 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.161 |
| InChI Key: | MSBCQYODJCZRIM-UHFFFAOYSA-N |