6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzoate
Chemical Structure Depiction of
6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzoate
6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzoate
Compound characteristics
Compound ID: | Y040-4163 |
Compound Name: | 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzoate |
Molecular Weight: | 400.81 |
Molecular Formula: | C21 H17 Cl O6 |
Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OC(c1ccc(C)cc1)=O |
Stereo: | ACHIRAL |
logP: | 4.3748 |
logD: | 4.3748 |
logSw: | -4.6314 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 62.203 |
InChI Key: | KJFVLQAEBXOXBC-UHFFFAOYSA-N |