N-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-7822 |
| Compound Name: | N-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 521.92 |
| Molecular Formula: | C25 H20 Cl N5 O6 |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(Nc2cc(cc(c2)Oc2ccc(cc2)[Cl])[N+]([O-])=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3829 |
| logD: | 5.3046 |
| logSw: | -6.0262 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.52 |
| InChI Key: | GYQQVUDMTFFSAE-UHFFFAOYSA-N |