N-[(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
N-[(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | C592-3727 |
| Compound Name: | N-[(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C22 H18 F N5 O3 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(Nc1ccc(cc1)F)=O)NC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6579 |
| logD: | 2.6578 |
| logSw: | -3.1872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.101 |
| InChI Key: | XWZVFKMUWPOIJZ-UHFFFAOYSA-N |