rel-(3aR,7aS)-2-[(4-acetylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-[(4-acetylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-[(4-acetylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8010-4802 |
| Compound Name: | rel-(3aR,7aS)-2-[(4-acetylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 298.34 |
| Molecular Formula: | C17 H18 N2 O3 |
| Smiles: | [H][C@@]12CC=CC[C@@]2([H])C(N(CNc2ccc(cc2)C(C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9767 |
| logD: | 1.9767 |
| logSw: | -2.6664 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.67 |
| InChI Key: | DFGBBVOMWQPEDS-GASCZTMLSA-N |