N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,3,3-trimethylbutanamide
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,3,3-trimethylbutanamide
Compound characteristics
| Compound ID: | V012-8662 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N,3,3-trimethylbutanamide |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C27 H33 N3 O6 |
| Smiles: | CC(C)(C)CC(N(C)CC(N1C(CC(c2ccc(cc2OC)OC)=N1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6009 |
| logD: | 4.6008 |
| logSw: | -4.5483 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.043 |
| InChI Key: | SQABXXORQGMLJU-NRFANRHFSA-N |