rel-(3aR,7aS)-2-(3-chloro-4-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-(3-chloro-4-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-(3-chloro-4-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0264 |
| Compound Name: | rel-(3aR,7aS)-2-(3-chloro-4-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 291.73 |
| Molecular Formula: | C15 H14 Cl N O3 |
| Smiles: | COc1ccc(cc1[Cl])N1C([C@H]2CC=CC[C@H]2C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4298 |
| logD: | 2.4298 |
| logSw: | -3.1049 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.702 |
| InChI Key: | KWEAYMRTENEGMC-PHIMTYICSA-N |