N,1-bis(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-methyl-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N,1-bis(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-methyl-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
N,1-bis(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-methyl-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0166 |
| Compound Name: | N,1-bis(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-methyl-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 451.56 |
| Molecular Formula: | C20 H25 N3 O5 S2 |
| Smiles: | Cc1ccc(cc1)c1cc(C(N(C)C2CCS(C2)(=O)=O)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4324 |
| logD: | 0.4324 |
| logSw: | -2.0208 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.971 |
| InChI Key: | JPFRKGNJGQYJBX-UHFFFAOYSA-N |