3-[3-(azepane-1-carbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[3-(azepane-1-carbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(azepane-1-carbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0195 |
| Compound Name: | 3-[3-(azepane-1-carbonyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Smiles: | Cc1ccc(cc1)c1cc(C(N2CCCCCC2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9429 |
| logD: | 2.9429 |
| logSw: | -3.2791 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.311 |
| InChI Key: | JQFYDXDGGGJKHZ-GOSISDBHSA-N |