N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1H-pyrazole-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0267 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 467.54 |
| Molecular Formula: | C24 H25 N3 O5 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(NCc2ccc3c(c2)OCO3)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2828 |
| logD: | 3.2828 |
| logSw: | -3.4816 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.86 |
| InChI Key: | ARIYCLCCQGCGIA-LJQANCHMSA-N |