rel-(4R,7S)-2-(1-acetyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(4R,7S)-2-(1-acetyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
rel-(4R,7S)-2-(1-acetyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8013-0786 |
| Compound Name: | rel-(4R,7S)-2-(1-acetyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 315.28 |
| Molecular Formula: | C15 H13 N3 O5 |
| Smiles: | CC(N1C=C(C(NC1=O)=O)N1C(C2C(C1=O)[C@@H]1C[C@H]2C=C1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -1.2868 |
| logD: | -7.7086 |
| logSw: | -1.2609 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.051 |
| InChI Key: | XLYVPLHMGWNYRJ-UHFFFAOYSA-N |