N-[1-(adamantan-1-yl)ethyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-[1-(adamantan-1-yl)ethyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C360-0085 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C21 H27 N5 O3 |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)Nc1c(nn(c2ccccc2C)[n+]1[O-])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6939 |
| logD: | 4.6939 |
| logSw: | -4.3991 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.301 |
| InChI Key: | JLYQVEHVGIUWRZ-HILYYZTDSA-N |