{3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(morpholin-4-yl)methanone
Chemical Structure Depiction of
{3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(morpholin-4-yl)methanone
{3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | V027-9459 |
| Compound Name: | {3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(morpholin-4-yl)methanone |
| Molecular Weight: | 538.59 |
| Molecular Formula: | C28 H25 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)c1nnc(n1c1cccc(c1)C(F)(F)F)SCc1cccc(c1)C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5321 |
| logD: | 4.5321 |
| logSw: | -4.4273 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.245 |
| InChI Key: | XENJKBNFNZTOKA-UHFFFAOYSA-N |