5-(3,4-dimethoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
5-(3,4-dimethoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 3740-0976 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-N-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 423.55 |
| Molecular Formula: | C22 H21 N3 O2 S2 |
| Smiles: | COc1ccc(cc1OC)C1CC(c2cccs2)=NN1C(Nc1ccccc1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2033 |
| logD: | 5.2033 |
| logSw: | -5.2031 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.644 |
| InChI Key: | LCAFJKXAZFKFRV-SFHVURJKSA-N |