4-butyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-butyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-methoxyethyl)benzamide
4-butyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | V004-0190 |
| Compound Name: | 4-butyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 518.7 |
| Molecular Formula: | C31 H42 N4 O3 |
| Smiles: | CCCCc1ccc(cc1)C(N(CCOC)CC(Nc1cc(C(C)(C)C)nn1c1ccc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1641 |
| logD: | 7.1638 |
| logSw: | -5.4999 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.054 |
| InChI Key: | JXRKLGONYFMDFS-UHFFFAOYSA-N |