methyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Chemical Structure Depiction of
methyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
methyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Compound characteristics
| Compound ID: | 2360-0401 |
| Compound Name: | methyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate |
| Molecular Weight: | 323.35 |
| Molecular Formula: | C19 H17 N O4 |
| Smiles: | COC(c1cccc(c1)N1C(C2C3C=CC(C4CC34)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9042 |
| logD: | 1.9042 |
| logSw: | -2.2399 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.418 |
| InChI Key: | VFQUGKLWSURPCK-UHFFFAOYSA-N |