methyl 3-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
Chemical Structure Depiction of
methyl 3-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
methyl 3-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
Compound characteristics
| Compound ID: | 2360-0223 |
| Compound Name: | methyl 3-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate |
| Molecular Weight: | 337.37 |
| Molecular Formula: | C20 H19 N O4 |
| Smiles: | CC(C)=C1C2C=CC1C1C2C(N(C1=O)c1cccc(c1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3116 |
| logD: | 2.3116 |
| logSw: | -2.5121 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.898 |
| InChI Key: | VDCQPEPOOWUBBH-UHFFFAOYSA-N |