3-(2H-1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
3-(2H-1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | C202-4081 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C19 H19 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)C1CC(c2ccc3c(c2)OCO3)=NN1C(N)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1812 |
| logD: | 3.1812 |
| logSw: | -3.3414 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.076 |
| InChI Key: | MEMWQQAVLTWOAS-AWEZNQCLSA-N |