methyl 6-bromo-1-(4-tert-butylbenzoyl)-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-1-(4-tert-butylbenzoyl)-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
methyl 6-bromo-1-(4-tert-butylbenzoyl)-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
Compound characteristics
| Compound ID: | 5059-0288 |
| Compound Name: | methyl 6-bromo-1-(4-tert-butylbenzoyl)-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate |
| Molecular Weight: | 485.37 |
| Molecular Formula: | C25 H25 Br O5 |
| Smiles: | CCC1(C2c3cc(ccc3OC(C12C(=O)OC)=O)[Br])C(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5086 |
| logD: | 6.5013 |
| logSw: | -5.7171 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.053 |
| InChI Key: | CQKFOGHSBPGJOB-UHFFFAOYSA-N |