3-{5-(3,4-dimethylphenyl)-3-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{5-(3,4-dimethylphenyl)-3-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{5-(3,4-dimethylphenyl)-3-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
Compound ID: | D627-0297 |
Compound Name: | 3-{5-(3,4-dimethylphenyl)-3-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione |
Molecular Weight: | 479.6 |
Molecular Formula: | C25 H29 N5 O3 S |
Smiles: | Cc1ccc(cc1C)c1cc(C(N2CCN(CC2)c2ccccn2)=O)nn1C1CCS(C1)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1888 |
logD: | 3.18 |
logSw: | -3.2731 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 69.752 |
InChI Key: | KMXMSLPBSVMMHP-OAQYLSRUSA-N |