3-[3-(azepane-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[3-(azepane-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(azepane-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0077 |
| Compound Name: | 3-[3-(azepane-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 393.53 |
| Molecular Formula: | C18 H23 N3 O3 S2 |
| Smiles: | C1CCCN(CC1)C(c1cc(c2cccs2)n(C2CCS(C2)(=O)=O)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1835 |
| logD: | 2.1835 |
| logSw: | -2.5606 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.329 |
| InChI Key: | CUGDLEKPEUVFQW-CQSZACIVSA-N |