N-[(5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
Chemical Structure Depiction of
N-[(5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
N-[(5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
Compound characteristics
| Compound ID: | C592-0493 |
| Compound Name: | N-[(5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C25 H22 F N5 O2 S |
| Smiles: | Cc1cccc(c1)C(NCc1nnc(n1c1ccccc1)SCC(Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6235 |
| logD: | 3.6233 |
| logSw: | -3.9017 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.825 |
| InChI Key: | STQXCCIZUXOZAX-UHFFFAOYSA-N |