2-(4-chlorophenyl)-5-nitro-3-oxo-N-[(oxolan-2-yl)methyl]-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-chlorophenyl)-5-nitro-3-oxo-N-[(oxolan-2-yl)methyl]-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-chlorophenyl)-5-nitro-3-oxo-N-[(oxolan-2-yl)methyl]-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0768 |
| Compound Name: | 2-(4-chlorophenyl)-5-nitro-3-oxo-N-[(oxolan-2-yl)methyl]-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 339.74 |
| Molecular Formula: | C13 H14 Cl N5 O4 |
| Smiles: | C1CC(CNc2c(nn(c3ccc(cc3)[Cl])[n+]2[O-])[N+]([O-])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0155 |
| logD: | 2.0155 |
| logSw: | -2.7053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.06 |
| InChI Key: | ZHNQTGNUGRLCFQ-LLVKDONJSA-N |