methyl 3-(4-benzylpiperidine-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Chemical Structure Depiction of
methyl 3-(4-benzylpiperidine-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
methyl 3-(4-benzylpiperidine-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Compound characteristics
| Compound ID: | F312-0192 |
| Compound Name: | methyl 3-(4-benzylpiperidine-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C23 H23 N O6 S |
| Smiles: | COC(c1ccc2c(C=C(C(=O)O2)S(N2CCC(CC2)Cc2ccccc2)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3359 |
| logD: | 4.3359 |
| logSw: | -4.4891 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.773 |
| InChI Key: | KCMGUJIOQRDNNR-UHFFFAOYSA-N |