6-chloro-3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl furan-2-carboxylate
Chemical Structure Depiction of
6-chloro-3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl furan-2-carboxylate
6-chloro-3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl furan-2-carboxylate
Compound characteristics
| Compound ID: | Y040-1698 |
| Compound Name: | 6-chloro-3-hexyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl furan-2-carboxylate |
| Molecular Weight: | 388.85 |
| Molecular Formula: | C21 H21 Cl O5 |
| Smiles: | CCCCCCC1=C(C)c2cc(c(cc2OC1=O)OC(c1ccco1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1825 |
| logD: | 6.1825 |
| logSw: | -6.0364 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.203 |
| InChI Key: | MPRRUZZQTYRYKY-UHFFFAOYSA-N |