methyl 5-{[rel-(3aR,7aS)-1,3-dioxooctahydro-2H-isoindol-2-yl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[rel-(3aR,7aS)-1,3-dioxooctahydro-2H-isoindol-2-yl]methyl}furan-2-carboxylate
methyl 5-{[rel-(3aR,7aS)-1,3-dioxooctahydro-2H-isoindol-2-yl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | 4161-2576 |
| Compound Name: | methyl 5-{[rel-(3aR,7aS)-1,3-dioxooctahydro-2H-isoindol-2-yl]methyl}furan-2-carboxylate |
| Molecular Weight: | 291.3 |
| Molecular Formula: | C15 H17 N O5 |
| Smiles: | COC(c1ccc(CN2C([C@H]3CCCC[C@H]3C2=O)=O)o1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7085 |
| logD: | 1.7085 |
| logSw: | -2.5222 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.699 |
| InChI Key: | DLCVRBKLVKDPFR-UHFFFAOYSA-N |