2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-methoxyphenyl)ethan-1-one
2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V014-3053 |
| Compound Name: | 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 483.51 |
| Molecular Formula: | C25 H20 F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(CSc1nnc(Cc2ccccc2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6708 |
| logD: | 5.6708 |
| logSw: | -5.5896 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.479 |
| InChI Key: | UIJRDJRRQFEVKD-UHFFFAOYSA-N |