2-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
2-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-6905 |
| Compound Name: | 2-({[3-(2H-benzotriazol-2-yl)-4-ethoxyphenyl]methyl}sulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 537.58 |
| Molecular Formula: | C26 H18 F3 N5 O S2 |
| Smiles: | CCOc1ccc(CSc2c(C#N)c(cc(c3cccs3)n2)C(F)(F)F)cc1n1nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.5967 |
| logD: | 7.5967 |
| logSw: | -5.9573 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.461 |
| InChI Key: | APMNUIMCZLRSNC-UHFFFAOYSA-N |