1-oxo-1-phenylpropan-2-yl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Chemical Structure Depiction of
1-oxo-1-phenylpropan-2-yl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
1-oxo-1-phenylpropan-2-yl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Compound characteristics
| Compound ID: | C088-0010 |
| Compound Name: | 1-oxo-1-phenylpropan-2-yl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate |
| Molecular Weight: | 441.48 |
| Molecular Formula: | C27 H23 N O5 |
| Smiles: | CC(C(c1ccccc1)=O)OC(c1cccc(c1)N1C(C2C3C=CC(C4CC34)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1134 |
| logD: | 3.1134 |
| logSw: | -3.3429 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.13 |
| InChI Key: | ZJKKXFCDMACDCE-UHFFFAOYSA-N |