N-[(5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
N-[(5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C592-0423 |
| Compound Name: | N-[(5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C24 H20 F N5 O2 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(Nc1ccccc1F)=O)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1473 |
| logD: | 3.1472 |
| logSw: | -3.3839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.825 |
| InChI Key: | UYJUOPBDDYUWEJ-UHFFFAOYSA-N |