2-(2H-1,3-benzodioxol-5-yl)-4-methyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-4-methyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
2-(2H-1,3-benzodioxol-5-yl)-4-methyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8008-8478 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-4-methyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
| Molecular Weight: | 299.28 |
| Molecular Formula: | C16 H13 N O5 |
| Smiles: | CC12C=CC(C3C1C(N(C3=O)c1ccc3c(c1)OCO3)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2363 |
| logD: | 1.2363 |
| logSw: | -2.0344 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.917 |
| InChI Key: | WCFFSIHYUQAEPU-UHFFFAOYSA-N |