N-butyl-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-butyl-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitrobenzamide
N-butyl-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V024-9817 |
| Compound Name: | N-butyl-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitrobenzamide |
| Molecular Weight: | 525.61 |
| Molecular Formula: | C30 H31 N5 O4 |
| Smiles: | CCCCN(CC(Nc1c(c2ccccc2)c(C)nn1c1ccc(C)cc1)=O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.608 |
| logD: | 5.608 |
| logSw: | -5.4814 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.777 |
| InChI Key: | ZCORGRGHNAGEDL-UHFFFAOYSA-N |