methyl [(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]carbamate
Chemical Structure Depiction of
methyl [(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]carbamate
methyl [(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]carbamate
Compound characteristics
| Compound ID: | 5988-0073 |
| Compound Name: | methyl [(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]carbamate |
| Molecular Weight: | 250.25 |
| Molecular Formula: | C12 H14 N2 O4 |
| Smiles: | COC(NCN1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0743 |
| logD: | -0.0754 |
| logSw: | -0.9036 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.447 |
| InChI Key: | YERDVWZHKSLSFG-UHFFFAOYSA-N |