{2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(morpholin-4-yl)methanone
Chemical Structure Depiction of
{2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(morpholin-4-yl)methanone
{2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | V029-3813 |
| Compound Name: | {2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(morpholin-4-yl)methanone |
| Molecular Weight: | 462.49 |
| Molecular Formula: | C22 H21 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1c1cccc(c1)C(F)(F)F)SCc1ccccc1C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1777 |
| logD: | 3.1777 |
| logSw: | -3.5195 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.318 |
| InChI Key: | CIWNEKDORIDQRH-UHFFFAOYSA-N |