N-butyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-butyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-butyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V015-5127 |
| Compound Name: | N-butyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C29 H36 N4 O4 |
| Smiles: | CCCCN(CC(Nc1cc(C(C)(C)C)nn1c1ccc(C)cc1C)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4428 |
| logD: | 6.4425 |
| logSw: | -5.542 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.827 |
| InChI Key: | LXGBMWOJVOJGHS-UHFFFAOYSA-N |