1-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
1-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
1-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8016-5019 |
| Compound Name: | 1-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 375.38 |
| Molecular Formula: | C19 H21 N O7 |
| Smiles: | COc1cc(CN2CC34C=CC(C(C3C2=O)C(O)=O)O4)cc(c1OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7742 |
| logD: | -1.4472 |
| logSw: | -1.3984 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.933 |
| InChI Key: | DUBARIMOBPAYEK-UHFFFAOYSA-N |