2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | V013-9671 |
| Compound Name: | 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 462.49 |
| Molecular Formula: | C22 H21 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)c1nnc(n1c1cccc(c1)C(F)(F)F)SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3505 |
| logD: | 3.3504 |
| logSw: | -3.6174 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.99 |
| InChI Key: | HGVXMWABDHPAJD-UHFFFAOYSA-N |