methyl 2-[(4-fluorophenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
methyl 2-[(4-fluorophenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
methyl 2-[(4-fluorophenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 8016-6485 |
| Compound Name: | methyl 2-[(4-fluorophenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 317.31 |
| Molecular Formula: | C17 H16 F N O4 |
| Smiles: | COC(C1C2C(N(Cc3ccc(cc3)F)CC23C=CC1O3)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5965 |
| logD: | 1.5965 |
| logSw: | -2.0119 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.721 |
| InChI Key: | MCRCTTSYWIYMIR-UHFFFAOYSA-N |