methyl 6-bromo-1-ethyl-1-(4-methylbenzoyl)-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-1-ethyl-1-(4-methylbenzoyl)-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
methyl 6-bromo-1-ethyl-1-(4-methylbenzoyl)-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate
Compound characteristics
| Compound ID: | 8012-8383 |
| Compound Name: | methyl 6-bromo-1-ethyl-1-(4-methylbenzoyl)-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxylate |
| Molecular Weight: | 443.29 |
| Molecular Formula: | C22 H19 Br O5 |
| Smiles: | CCC1(C2c3cc(ccc3OC(C12C(=O)OC)=O)[Br])C(c1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1375 |
| logD: | 5.1303 |
| logSw: | -5.1159 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.053 |
| InChI Key: | IWAZIUKVVBHKEO-UHFFFAOYSA-N |