N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-pentylbenzamide
Chemical Structure Depiction of
N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-pentylbenzamide
N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-pentylbenzamide
Compound characteristics
| Compound ID: | V024-9728 |
| Compound Name: | N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-pentylbenzamide |
| Molecular Weight: | 533.67 |
| Molecular Formula: | C30 H39 N5 O4 |
| Salt: | not_available |
| Smiles: | CCCCCN(CC(Nc1cc(C(C)(C)C)nn1c1ccc(C)cc1C)=O)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.516 |
| logD: | 7.5156 |
| logSw: | -5.4284 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.792 |
| InChI Key: | YANHSVMQQDTPBY-UHFFFAOYSA-N |