3-{[6-hydroxy-3-oxo-2-(propan-2-ylidene)-2,3-dihydro-1-benzofuran-7-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-{[6-hydroxy-3-oxo-2-(propan-2-ylidene)-2,3-dihydro-1-benzofuran-7-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-{[6-hydroxy-3-oxo-2-(propan-2-ylidene)-2,3-dihydro-1-benzofuran-7-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-5960 |
| Compound Name: | 3-{[6-hydroxy-3-oxo-2-(propan-2-ylidene)-2,3-dihydro-1-benzofuran-7-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C23 H24 N2 O4 |
| Smiles: | CC(C)=C1C(c2ccc(c(CN3C[C@@H]4C[C@H](C3)CN3C4=CC=CC3=O)c2O1)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2708 |
| logD: | 3.22 |
| logSw: | -3.2757 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.069 |
| InChI Key: | DTCXQLQILFRBER-GJZGRUSLSA-N |