N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | K400-03815 |
| Compound Name: | N-{[5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 586.55 |
| Molecular Formula: | C26 H21 F3 N6 O5 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(CNC(c2ccccc2C(F)(F)F)=O)n1c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1725 |
| logD: | 4.1558 |
| logSw: | -4.4157 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.448 |
| InChI Key: | FYKHQWWMSHNISD-UHFFFAOYSA-N |