2-fluoro-N-[(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Chemical Structure Depiction of
2-fluoro-N-[(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
2-fluoro-N-[(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C592-0453 |
| Compound Name: | 2-fluoro-N-[(5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide |
| Molecular Weight: | 491.54 |
| Molecular Formula: | C25 H22 F N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(CNC(c2ccccc2F)=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7353 |
| logD: | 3.7352 |
| logSw: | -4.149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.067 |
| InChI Key: | HUVPXWRHUKJDFA-UHFFFAOYSA-N |