3-methylbutyl 6-bromo-1-(4-chlorobenzoyl)-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
Chemical Structure Depiction of
3-methylbutyl 6-bromo-1-(4-chlorobenzoyl)-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
3-methylbutyl 6-bromo-1-(4-chlorobenzoyl)-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
Compound characteristics
| Compound ID: | 5059-0299 |
| Compound Name: | 3-methylbutyl 6-bromo-1-(4-chlorobenzoyl)-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate |
| Molecular Weight: | 519.82 |
| Molecular Formula: | C25 H24 Br Cl O5 |
| Smiles: | CCC1(C2c3cc(ccc3OC(C12C(=O)OCCC(C)C)=O)[Br])C(c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9857 |
| logD: | 6.9784 |
| logSw: | -6.4953 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.927 |
| InChI Key: | QAJTXGNCNGRQOA-UHFFFAOYSA-N |