N-{[5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
N-{[5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | C592-0739 |
| Compound Name: | N-{[5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C23 H20 F N5 O3 S2 |
| Smiles: | COc1ccccc1n1c(CNC(c2cccs2)=O)nnc1SCC(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9857 |
| logD: | 2.9856 |
| logSw: | -3.5744 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.173 |
| InChI Key: | AIHNBQRTJNAFBW-UHFFFAOYSA-N |