4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-({[1-(pyridin-4-yl)ethylidene]amino}oxy)phenyl]butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-({[1-(pyridin-4-yl)ethylidene]amino}oxy)phenyl]butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-({[1-(pyridin-4-yl)ethylidene]amino}oxy)phenyl]butanamide
Compound characteristics
| Compound ID: | C163-0338 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-({[1-(pyridin-4-yl)ethylidene]amino}oxy)phenyl]butanamide |
| Molecular Weight: | 481.47 |
| Molecular Formula: | C22 H23 N7 O6 |
| Smiles: | C/C(c1ccncc1)=N/Oc1cc(cc(c1)[N+]([O-])=O)NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0278 |
| logD: | 2.0107 |
| logSw: | -2.373 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 130.917 |
| InChI Key: | QHKZGTXYJGVLSB-UHFFFAOYSA-N |