rel-(4R,7S)-2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(4R,7S)-2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
rel-(4R,7S)-2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0169 |
| Compound Name: | rel-(4R,7S)-2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 255.27 |
| Molecular Formula: | C15 H13 N O3 |
| Smiles: | C1[C@H]2C=C[C@@H]1C1C2C(N(C1=O)c1cccc(c1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3036 |
| logD: | 1.2717 |
| logSw: | -1.4591 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.342 |
| InChI Key: | JYVVSOYSBKBJHG-UHFFFAOYSA-N |