methyl 3-(azepane-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Chemical Structure Depiction of
methyl 3-(azepane-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
methyl 3-(azepane-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate
Compound characteristics
| Compound ID: | F312-0170 |
| Compound Name: | methyl 3-(azepane-1-sulfonyl)-2-oxo-2H-1-benzopyran-6-carboxylate |
| Molecular Weight: | 365.4 |
| Molecular Formula: | C17 H19 N O6 S |
| Smiles: | COC(c1ccc2c(C=C(C(=O)O2)S(N2CCCCCC2)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7173 |
| logD: | 2.7173 |
| logSw: | -3.2825 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.376 |
| InChI Key: | SKFUQXWEKBXXDW-UHFFFAOYSA-N |