4-methyl-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-methyl-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
4-methyl-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V024-8124 |
| Compound Name: | 4-methyl-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C31 H33 N5 O4 |
| Smiles: | CC(C)CN(CC(Nc1c(c2ccccc2)c(C)nn1c1ccc(C)cc1)=O)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.857 |
| logD: | 5.857 |
| logSw: | -5.5759 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.498 |
| InChI Key: | JFNHYJDSJSQKLB-UHFFFAOYSA-N |