rel-(4R,7S)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(4R,7S)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
rel-(4R,7S)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K978-0075 |
| Compound Name: | rel-(4R,7S)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C21 H23 N3 O3 |
| Smiles: | C1[C@H]2C=C[C@@H]1C1C2C(N(CC(N2CCN(CC2)c2ccccc2)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0087 |
| logD: | 1.0086 |
| logSw: | -1.8557 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.989 |
| InChI Key: | DRFPPVZEUTZOOE-UHFFFAOYSA-N |