5-methyl-N-[3-(2-methylphenoxy)-5-nitrophenyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
5-methyl-N-[3-(2-methylphenoxy)-5-nitrophenyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
5-methyl-N-[3-(2-methylphenoxy)-5-nitrophenyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | K061-1036 |
| Compound Name: | 5-methyl-N-[3-(2-methylphenoxy)-5-nitrophenyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 504.55 |
| Molecular Formula: | C30 H24 N4 O4 |
| Smiles: | Cc1ccccc1Oc1cc(cc(c1)[N+]([O-])=O)NC(c1c(c2ccccc2)nn(c2ccccc2)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.642 |
| logD: | 6.6406 |
| logSw: | -5.7264 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.885 |
| InChI Key: | BWICQJYUOMZFEW-UHFFFAOYSA-N |