2-(4-methylphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoate
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)propanoate
2-(4-methylphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoate
Compound characteristics
| Compound ID: | 4712-0016 |
| Compound Name: | 2-(4-methylphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoate |
| Molecular Weight: | 367.4 |
| Molecular Formula: | C21 H21 N O5 |
| Smiles: | CC(C(=O)OCC(c1ccc(C)cc1)=O)N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7602 |
| logD: | 1.7602 |
| logSw: | -2.1428 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.053 |
| InChI Key: | IOJRTBBESPKXAT-UHFFFAOYSA-N |