3-{[7-hydroxy-3-(3-methoxyphenyl)-2-oxo-2H-1-benzopyran-8-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-{[7-hydroxy-3-(3-methoxyphenyl)-2-oxo-2H-1-benzopyran-8-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-{[7-hydroxy-3-(3-methoxyphenyl)-2-oxo-2H-1-benzopyran-8-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: | Y040-5445 |
| Compound Name: | 3-{[7-hydroxy-3-(3-methoxyphenyl)-2-oxo-2H-1-benzopyran-8-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 470.52 |
| Molecular Formula: | C28 H26 N2 O5 |
| Smiles: | COc1cccc(c1)C1=Cc2ccc(c(CN3C[C@@H]4C[C@H](C3)CN3C4=CC=CC3=O)c2OC1=O)O |
| Stereo: | ABSOLUTE |
| logP: | 4.2013 |
| logD: | 4.1697 |
| logSw: | -4.2785 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.096 |
| InChI Key: | YHKCDUGPWBMDFQ-PXNSSMCTSA-N |