2-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0451 |
| Compound Name: | 2-(4-methoxyphenyl)-N-(2-methylcyclohexyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C16 H21 N5 O4 |
| Smiles: | CC1CCCCC1Nc1c(nn(c2ccc(cc2)OC)[n+]1[O-])[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4057 |
| logD: | 3.4057 |
| logSw: | -3.8582 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.065 |
| InChI Key: | ALYNUQABBWFEQN-UHFFFAOYSA-N |