methyl 3-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carbonyl]amino}benzoate
methyl 3-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D627-0223 |
| Compound Name: | methyl 3-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carbonyl]amino}benzoate |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C23 H23 N3 O5 S |
| Smiles: | Cc1ccc(cc1)c1cc(C(Nc2cccc(c2)C(=O)OC)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4587 |
| logD: | 3.4587 |
| logSw: | -3.7405 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.597 |
| InChI Key: | PMKPYIHAACJCGA-LJQANCHMSA-N |