N-{1-[5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}octanamide
Chemical Structure Depiction of
N-{1-[5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}octanamide
N-{1-[5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}octanamide
Compound characteristics
| Compound ID: | V009-1803 |
| Compound Name: | N-{1-[5-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}octanamide |
| Molecular Weight: | 571.74 |
| Molecular Formula: | C32 H37 N5 O3 S |
| Smiles: | CCCCCCCC(NC(Cc1ccccc1)c1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.9026 |
| logD: | 7.9026 |
| logSw: | -5.5206 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.196 |
| InChI Key: | FLSNYAYAMKATTQ-LJAQVGFWSA-N |