N-[(furan-2-yl)methyl]-3-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-3-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
N-[(furan-2-yl)methyl]-3-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V029-7956 |
| Compound Name: | N-[(furan-2-yl)methyl]-3-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 535.55 |
| Molecular Formula: | C27 H20 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccco1)NC(c1cccc(CSc2nnc(c3cccnc3)n2c2cccc(c2)C(F)(F)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9969 |
| logD: | 4.9926 |
| logSw: | -4.7161 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.393 |
| InChI Key: | KLUFMJRHNPQECJ-UHFFFAOYSA-N |