5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
Compound ID: | D627-0270 |
Compound Name: | 5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide |
Molecular Weight: | 424.52 |
Molecular Formula: | C22 H24 N4 O3 S |
Smiles: | Cc1ccc(cc1C)c1cc(C(NCc2cccnc2)=O)nn1C1CCS(C1)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.142 |
logD: | 2.1419 |
logSw: | -2.3039 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.263 |
InChI Key: | TXLNAUIJMRORQF-LJQANCHMSA-N |