N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,3,3-trimethylbutanamide
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,3,3-trimethylbutanamide
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,3,3-trimethylbutanamide
Compound characteristics
| Compound ID: | V006-5326 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,3,3-trimethylbutanamide |
| Molecular Weight: | 463.58 |
| Molecular Formula: | C27 H33 N3 O4 |
| Smiles: | Cc1ccc(cc1C)C1CC(c2ccc3c(c2)OCO3)N(C(CN(C)C(CC(C)(C)C)=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6178 |
| logD: | 5.6178 |
| logSw: | -5.4679 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.869 |
| InChI Key: | JBZLTLVYAYZBCM-QFIPXVFZSA-N |