N,2-dibenzyl-4,6-dinitro-1-oxo-2H-1lambda~5~-indazol-3-amine
Chemical Structure Depiction of
N,2-dibenzyl-4,6-dinitro-1-oxo-2H-1lambda~5~-indazol-3-amine
N,2-dibenzyl-4,6-dinitro-1-oxo-2H-1lambda~5~-indazol-3-amine
Compound characteristics
| Compound ID: | 8011-9092 |
| Compound Name: | N,2-dibenzyl-4,6-dinitro-1-oxo-2H-1lambda~5~-indazol-3-amine |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C21 H17 N5 O5 |
| Smiles: | C(c1ccccc1)Nc1c2c(cc(cc2[n+](n1Cc1ccccc1)[O-])[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1145 |
| logD: | 4.1145 |
| logSw: | -4.6086 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.947 |
| InChI Key: | QWAYGKFBRGFOTC-UHFFFAOYSA-N |