methyl rel-(3aR,6aS)-5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Chemical Structure Depiction of
methyl rel-(3aR,6aS)-5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
methyl rel-(3aR,6aS)-5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 6877-0240 |
| Compound Name: | methyl rel-(3aR,6aS)-5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate |
| Molecular Weight: | 288.26 |
| Molecular Formula: | C14 H12 N2 O5 |
| Smiles: | Cc1ccc(cc1)N1C([C@H]2C(C(=O)OC)=NO[C@H]2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6701 |
| logD: | 0.6701 |
| logSw: | -1.2246 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.136 |
| InChI Key: | UNDOQJAZRSVHNE-ONGXEEELSA-N |