methyl 2-chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate
Chemical Structure Depiction of
methyl 2-chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate
methyl 2-chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 2233-0247 |
| Compound Name: | methyl 2-chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate |
| Molecular Weight: | 345.78 |
| Molecular Formula: | C18 H16 Cl N O4 |
| Smiles: | COC(c1cc(ccc1[Cl])N1C(C2C3CCC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4925 |
| logD: | 2.4925 |
| logSw: | -3.3537 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.166 |
| InChI Key: | AUAYQCODRLOXOU-UHFFFAOYSA-N |