N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0150 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C23 H23 N3 O5 S |
| Smiles: | Cc1ccc(cc1)c1cc(C(NCc2ccc3c(c2)OCO3)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8439 |
| logD: | 2.8439 |
| logSw: | -3.4009 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.86 |
| InChI Key: | VGVYDKSGBGSWNN-GOSISDBHSA-N |