methyl 3-(4-methylpiperazine-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Chemical Structure Depiction of
methyl 3-(4-methylpiperazine-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
methyl 3-(4-methylpiperazine-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Compound characteristics
| Compound ID: | F312-0173 |
| Compound Name: | methyl 3-(4-methylpiperazine-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate |
| Molecular Weight: | 366.39 |
| Molecular Formula: | C16 H18 N2 O6 S |
| Smiles: | CN1CCN(CC1)S(C1=Cc2cc(ccc2OC1=O)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1257 |
| logD: | 0.9755 |
| logSw: | -2.3878 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 77.521 |
| InChI Key: | QKOXTGADTDZGPL-UHFFFAOYSA-N |