1a-acetyl-6-bromo-1-ethyl-1-(4-methylbenzoyl)-1a,7b-dihydrocyclopropa[c][1]benzopyran-2(1H)-one
Chemical Structure Depiction of
1a-acetyl-6-bromo-1-ethyl-1-(4-methylbenzoyl)-1a,7b-dihydrocyclopropa[c][1]benzopyran-2(1H)-one
1a-acetyl-6-bromo-1-ethyl-1-(4-methylbenzoyl)-1a,7b-dihydrocyclopropa[c][1]benzopyran-2(1H)-one
Compound characteristics
| Compound ID: | 8013-5472 |
| Compound Name: | 1a-acetyl-6-bromo-1-ethyl-1-(4-methylbenzoyl)-1a,7b-dihydrocyclopropa[c][1]benzopyran-2(1H)-one |
| Molecular Weight: | 427.29 |
| Molecular Formula: | C22 H19 Br O4 |
| Smiles: | CCC1(C2c3cc(ccc3OC(C12C(C)=O)=O)[Br])C(c1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9583 |
| logD: | 4.951 |
| logSw: | -4.7781 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.706 |
| InChI Key: | GXPZHEYBUXDVJB-UHFFFAOYSA-N |