1-benzoyl-N-benzyl-6-bromo-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxamide
Chemical Structure Depiction of
1-benzoyl-N-benzyl-6-bromo-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxamide
1-benzoyl-N-benzyl-6-bromo-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxamide
Compound characteristics
| Compound ID: | 8015-1345 |
| Compound Name: | 1-benzoyl-N-benzyl-6-bromo-1-ethyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a(2H)-carboxamide |
| Molecular Weight: | 504.38 |
| Molecular Formula: | C27 H22 Br N O4 |
| Smiles: | CCC1(C2c3cc(ccc3OC(C12C(NCc1ccccc1)=O)=O)[Br])C(c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4705 |
| logD: | 5.4632 |
| logSw: | -5.5199 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.292 |
| InChI Key: | MGPBSHXTOBFKDK-UHFFFAOYSA-N |