methyl 6-bromo-1-ethyl-1-(4-fluorobenzoyl)-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-1-ethyl-1-(4-fluorobenzoyl)-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
methyl 6-bromo-1-ethyl-1-(4-fluorobenzoyl)-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
Compound characteristics
Compound ID: | 8012-9425 |
Compound Name: | methyl 6-bromo-1-ethyl-1-(4-fluorobenzoyl)-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate |
Molecular Weight: | 447.26 |
Molecular Formula: | C21 H16 Br F O5 |
Smiles: | CCC1(C2c3cc(ccc3OC(C12C(=O)OC)=O)[Br])C(c1ccc(cc1)F)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.7432 |
logD: | 4.7359 |
logSw: | -4.7248 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 56.053 |
InChI Key: | BCBIYPMOHATPKE-ZWVUXNTGSA-N |