2-(4-methoxyphenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Chemical Structure Depiction of
2-(4-methoxyphenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
2-(4-methoxyphenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Compound characteristics
| Compound ID: | C088-0005 |
| Compound Name: | 2-(4-methoxyphenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate |
| Molecular Weight: | 457.48 |
| Molecular Formula: | C27 H23 N O6 |
| Smiles: | COc1ccc(cc1)C(COC(c1cccc(c1)N1C(C2C3C=CC(C4CC34)C2C1=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8845 |
| logD: | 2.8845 |
| logSw: | -3.4029 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.893 |
| InChI Key: | WNUPRTGQRHBXBU-UHFFFAOYSA-N |