rel-(4R,7S)-2-(5-chloro-2-methylphenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(4R,7S)-2-(5-chloro-2-methylphenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
rel-(4R,7S)-2-(5-chloro-2-methylphenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8009-4532 |
| Compound Name: | rel-(4R,7S)-2-(5-chloro-2-methylphenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
| Molecular Weight: | 319.74 |
| Molecular Formula: | C16 H14 Cl N O4 |
| Smiles: | Cc1ccc(cc1N1C(C2C(C1=O)[C@]1(CO)C=C[C@H]2O1)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4784 |
| logD: | 1.4784 |
| logSw: | -2.2913 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.81 |
| InChI Key: | ABVBOYDDLJKDFV-UHFFFAOYSA-N |