N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}octanamide
Chemical Structure Depiction of
N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}octanamide
N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}octanamide
Compound characteristics
| Compound ID: | V004-0305 |
| Compound Name: | N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}octanamide |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C25 H30 F N5 O3 S |
| Salt: | not_available |
| Smiles: | CCCCCCCC(NC(C)c1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5851 |
| logD: | 5.5851 |
| logSw: | -5.1378 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82 |
| InChI Key: | SEVAYPYMBXEZPX-SFHVURJKSA-N |