3-[3-(azepane-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[3-(azepane-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(azepane-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0307 |
| Compound Name: | 3-[3-(azepane-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(N2CCCCCC2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3818 |
| logD: | 3.3818 |
| logSw: | -3.6231 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.311 |
| InChI Key: | JGNQBMGYHJTVNM-LJQANCHMSA-N |