2-(3-chlorophenyl)-N-cyclooctyl-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(3-chlorophenyl)-N-cyclooctyl-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(3-chlorophenyl)-N-cyclooctyl-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1028 |
| Compound Name: | 2-(3-chlorophenyl)-N-cyclooctyl-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 365.82 |
| Molecular Formula: | C16 H20 Cl N5 O3 |
| Smiles: | C1CCCC(CCC1)Nc1c(nn(c2cccc(c2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6694 |
| logD: | 4.6694 |
| logSw: | -4.8803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.462 |
| InChI Key: | MHNKBRPPVYLDCV-UHFFFAOYSA-N |