4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide
Chemical Structure Depiction of
4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide
4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide
Compound characteristics
| Compound ID: | C163-0214 |
| Compound Name: | 4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide |
| Molecular Weight: | 439.43 |
| Molecular Formula: | C21 H21 N5 O6 |
| Smiles: | Cc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)NC(CCCn1c(C)cc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4595 |
| logD: | 3.4559 |
| logSw: | -3.7078 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.269 |
| InChI Key: | VZXQLBZUZNULIW-UHFFFAOYSA-N |