2-(4-methylphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoate
Chemical Structure Depiction of
2-(4-methylphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoate
2-(4-methylphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoate
Compound characteristics
| Compound ID: | 3795-0314 |
| Compound Name: | 2-(4-methylphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoate |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C27 H25 N O5 |
| Smiles: | Cc1ccc(cc1)C(COC(C(Cc1ccccc1)N1C(C2C3CC(C=C3)C2C1=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6202 |
| logD: | 3.6202 |
| logSw: | -3.8422 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.366 |
| InChI Key: | YTDGKRWSZHSWDY-UHFFFAOYSA-N |