1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3-carboxamide
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0117 |
| Compound Name: | 1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C21 H23 N3 O6 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(c1cc(c2cccs2)n(C2CCS(C2)(=O)=O)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8085 |
| logD: | 1.808 |
| logSw: | -2.6305 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.419 |
| InChI Key: | YLAFKUVBGSVLKG-CQSZACIVSA-N |