5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 4487-1094 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 347.46 |
| Molecular Formula: | C16 H17 N3 O2 S2 |
| Smiles: | COc1ccc(cc1OC)C1CC(c2cccs2)=NN1C(N)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1215 |
| logD: | 3.1215 |
| logSw: | -3.1497 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.979 |
| InChI Key: | CQFPXNYTONGSTO-LBPRGKRZSA-N |