5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0242 |
| Compound Name: | 5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C20 H27 N3 O3 S |
| Smiles: | CC(C)CNC(c1cc(c2ccc(C)c(C)c2)n(C2CCS(C2)(=O)=O)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.955 |
| logD: | 2.955 |
| logSw: | -3.3774 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.017 |
| InChI Key: | SPSCMOJSXRMMFQ-QGZVFWFLSA-N |