N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-hexylbenzamide
Chemical Structure Depiction of
N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-hexylbenzamide
N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-hexylbenzamide
Compound characteristics
| Compound ID: | V018-1673 |
| Compound Name: | N-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-hexylbenzamide |
| Molecular Weight: | 637.78 |
| Molecular Formula: | C36 H36 F N5 O3 S |
| Salt: | not_available |
| Smiles: | CCCCCCc1ccc(cc1)C(NC(Cc1ccccc1)c1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.6734 |
| logD: | 8.6733 |
| logSw: | -5.7824 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.138 |
| InChI Key: | VVXSITZPHHGTBI-XIFFEERXSA-N |