N-[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-1H-pyrazol-5-yl]-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
Chemical Structure Depiction of
N-[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-1H-pyrazol-5-yl]-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
N-[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-1H-pyrazol-5-yl]-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y043-2657 |
| Compound Name: | N-[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-methyl-1H-pyrazol-5-yl]-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Smiles: | Cc1cc(NC(C2=CC(N(C)c3ccccc23)=O)=O)n(C2CCS(C2)(=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.13 |
| logD: | 0.1214 |
| logSw: | -2.4918 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.259 |
| InChI Key: | ZDMDLXOTYDGJRQ-CYBMUJFWSA-N |