2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[(pyridin-3-yl)oxy]phenyl}acetamide
Chemical Structure Depiction of
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[(pyridin-3-yl)oxy]phenyl}acetamide
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[(pyridin-3-yl)oxy]phenyl}acetamide
Compound characteristics
| Compound ID: | 1762-0106 |
| Compound Name: | 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[(pyridin-3-yl)oxy]phenyl}acetamide |
| Molecular Weight: | 412.36 |
| Molecular Formula: | C18 H16 N6 O6 |
| Smiles: | Cc1c(c(C)n(CC(Nc2cc(cc(c2)Oc2cccnc2)[N+]([O-])=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3035 |
| logD: | 2.3021 |
| logSw: | -2.5464 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.096 |
| InChI Key: | PPOQNSIRXJPKPW-UHFFFAOYSA-N |