N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0233 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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(Nc2ccc3c(c2)OCCO3)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1599 |
| logD: | 2.1598 |
| logSw: | -2.9674 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.246 |
| InChI Key: | RNLOYLMITHJKTG-GOSISDBHSA-N |