methyl 4-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl]amino}benzoate
methyl 4-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | Y042-5122 |
| Compound Name: | methyl 4-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C17 H19 N3 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(C1CCC(N(C2CCS(C2)(=O)=O)N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5206 |
| logD: | 0.52 |
| logSw: | -2.1838 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.935 |
| InChI Key: | SNVSRKFNEFIYMK-CYBMUJFWSA-N |