methyl 2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1324 |
| Compound Name: | methyl 2-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C21 H18 N2 O6 S |
| Smiles: | Cc1ccc2c(c1)C(C(=C(N2)SCC(Nc1ccc2c(c1)OCO2)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4861 |
| logD: | 2.0057 |
| logSw: | -3.7144 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.979 |
| InChI Key: | OHEHEACAPZEVMU-UHFFFAOYSA-N |