5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0258 |
| Compound Name: | 5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | Cc1ccc(CNC(c2cc(c3ccc(C)c(C)c3)n(C3CCS(C3)(=O)=O)n2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7931 |
| logD: | 3.7931 |
| logSw: | -3.8101 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.745 |
| InChI Key: | KLJJEGRRTYVRJV-OAQYLSRUSA-N |