N-butyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-butyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide
N-butyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V019-1649 |
| Compound Name: | N-butyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 519.64 |
| Molecular Formula: | C29 H37 N5 O4 |
| Salt: | not_available |
| Smiles: | CCCCN(CC(Nc1cc(C(C)(C)C)nn1c1ccc(C)cc1C)=O)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8686 |
| logD: | 6.8682 |
| logSw: | -5.5196 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.792 |
| InChI Key: | KCYAAQPKCJSKRL-UHFFFAOYSA-N |