(4RS,7SR)-2-{3-oxo-3-[(1RS,5SR)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
(4RS,7SR)-2-{3-oxo-3-[(1RS,5SR)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
(4RS,7SR)-2-{3-oxo-3-[(1RS,5SR)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K978-0437 |
| Compound Name: | (4RS,7SR)-2-{3-oxo-3-[(1RS,5SR)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C23 H25 N3 O4 |
| Smiles: | C(CN1C(C2C(C1=O)[C@@H]1C[C@H]2C=C1)=O)C(N1C[C@@H]2C[C@H](C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9084 |
| logD: | 0.9084 |
| logSw: | -0.8806 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.406 |
| InChI Key: | HEVISROWSCLESF-UHFFFAOYSA-N |