methyl 4-[(Z)-{6-hydroxy-3-oxo-7-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-1-benzofuran-2(3H)-ylidene}methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(Z)-{6-hydroxy-3-oxo-7-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-1-benzofuran-2(3H)-ylidene}methyl]benzoate
methyl 4-[(Z)-{6-hydroxy-3-oxo-7-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-1-benzofuran-2(3H)-ylidene}methyl]benzoate
Compound characteristics
| Compound ID: | Y041-5246 |
| Compound Name: | methyl 4-[(Z)-{6-hydroxy-3-oxo-7-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-1-benzofuran-2(3H)-ylidene}methyl]benzoate |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C29 H26 N2 O6 |
| Smiles: | COC(c1ccc(/C=C2/C(c3ccc(c(CN4C[C@@H]5C[C@H](C4)CN4C5=CC=CC4=O)c3O2)O)=O)cc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.4115 |
| logD: | 4.3607 |
| logSw: | -4.1239 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.201 |
| InChI Key: | IPJONUOGMNCCPI-ICSRJNTNSA-N |