N-{[5-({2-[2-chloro-5-(trifluoromethyl)anilino]-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-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
N-{[5-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | K400-10230 |
| Compound Name: | N-{[5-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide |
| Molecular Weight: | 582.02 |
| Molecular Formula: | C24 H19 Cl F3 N5 O3 S2 |
| Smiles: | COc1ccccc1n1c(CNC(c2cccs2)=O)nnc1SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4305 |
| logD: | 4.4039 |
| logSw: | -4.6137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.173 |
| InChI Key: | YPOVCGAITSTBRH-UHFFFAOYSA-N |