methyl 5-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]furan-2-carboxylate
methyl 5-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]furan-2-carboxylate
Compound characteristics
| Compound ID: | V013-9682 |
| Compound Name: | methyl 5-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]furan-2-carboxylate |
| Molecular Weight: | 473.47 |
| Molecular Formula: | C23 H18 F3 N3 O3 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(CSc2nnc(Cc3ccccc3)n2c2cccc(c2)C(F)(F)F)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3057 |
| logD: | 5.3057 |
| logSw: | -5.4854 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.704 |
| InChI Key: | DMPNXJHMSSQYBF-UHFFFAOYSA-N |