6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
Chemical Structure Depiction of
6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
Compound characteristics
| Compound ID: | Y040-3768 |
| Compound Name: | 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate |
| Molecular Weight: | 392.83 |
| Molecular Formula: | C20 H21 Cl O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OC(C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2684 |
| logD: | 4.2684 |
| logSw: | -4.6123 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.396 |
| InChI Key: | STGBWYGKBIVGHP-UHFFFAOYSA-N |