4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]butanamide
Compound characteristics
| Compound ID: | C163-0329 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]butanamide |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C22 H23 N5 O6 |
| Smiles: | Cc1ccccc1Oc1cc(cc(c1)[N+]([O-])=O)NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3227 |
| logD: | 3.3191 |
| logSw: | -3.891 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.644 |
| InChI Key: | JQOWKNYIXKDGHM-UHFFFAOYSA-N |