N-cycloheptyl-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-cycloheptyl-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-cycloheptyl-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0195 |
| Compound Name: | N-cycloheptyl-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C16 H21 N5 O3 |
| Smiles: | Cc1cccc(c1)n1nc(c(NC2CCCCCC2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0324 |
| logD: | 4.0324 |
| logSw: | -4.0631 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.462 |
| InChI Key: | SLVMWCLIFHBNQN-UHFFFAOYSA-N |