methyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate
methyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 2140-0023 |
| Compound Name: | methyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C18 H17 N O4 |
| Smiles: | COC(c1ccc(cc1)N1C(C2C3CCC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0599 |
| logD: | 2.0599 |
| logSw: | -2.3384 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.166 |
| InChI Key: | KLUOKEFZKFKDQD-UHFFFAOYSA-N |