4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide
Compound characteristics
| Compound ID: | C163-0101 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide |
| Molecular Weight: | 473.87 |
| Molecular Formula: | C21 H20 Cl N5 O6 |
| Smiles: | Cc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)NC(CCCn1c(C)c(c(n1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1769 |
| logD: | 4.1733 |
| logSw: | -4.7817 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.515 |
| InChI Key: | ULRUVDSCAVVGFC-UHFFFAOYSA-N |