N-[(5-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[(5-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
N-[(5-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | K400-10089 |
| Compound Name: | N-[(5-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 545.54 |
| Molecular Formula: | C25 H22 F3 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(CSc1nnc(CNC(c2ccco2)=O)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9452 |
| logD: | 3.9452 |
| logSw: | -4.0258 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.225 |
| InChI Key: | LXPIIPINQYTYJD-UHFFFAOYSA-N |