3-[5-(3,4-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[5-(3,4-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[5-(3,4-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0244 |
| Compound Name: | 3-[5-(3,4-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C20 H25 N3 O3 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(N2CCCC2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5986 |
| logD: | 2.5986 |
| logSw: | -2.7894 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.346 |
| InChI Key: | NPLZVYKDBLBQCQ-QGZVFWFLSA-N |