rel-(3aR,7aS)-5-methyl-2-(pyridin-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-5-methyl-2-(pyridin-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-5-methyl-2-(pyridin-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4493-0928 |
| Compound Name: | rel-(3aR,7aS)-5-methyl-2-(pyridin-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 242.27 |
| Molecular Formula: | C14 H14 N2 O2 |
| Smiles: | CC1C[C@@H]2C(N(C([C@@H]2CC=1)=O)c1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0103 |
| logD: | 2.0103 |
| logSw: | -2.5875 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.583 |
| InChI Key: | NBRSHGDINMKMSL-QWRGUYRKSA-N |