N-tert-butyl-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-tert-butyl-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
N-tert-butyl-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0189 |
| Compound Name: | N-tert-butyl-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C19 H25 N3 O3 S |
| Smiles: | Cc1ccc(cc1)c1cc(C(NC(C)(C)C)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.626 |
| logD: | 2.626 |
| logSw: | -3.1458 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.84 |
| InChI Key: | WZKAYJBJAVVCBG-OAHLLOKOSA-N |