rel-(3aR,7aS)-2-[(4-fluoroanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-[(4-fluoroanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-[(4-fluoroanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8011-2061 |
| Compound Name: | rel-(3aR,7aS)-2-[(4-fluoroanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 274.29 |
| Molecular Formula: | C15 H15 F N2 O2 |
| Smiles: | [H][C@@]12CC=CC[C@@]2([H])C(N(CNc2ccc(cc2)F)C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4637 |
| logD: | 2.4637 |
| logSw: | -2.7976 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.843 |
| InChI Key: | WLCFXXGCQCZYOF-BETUJISGSA-N |