3-({(2Z)-6-hydroxy-3-oxo-2-[(2E)-3-phenylprop-2-en-1-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-({(2Z)-6-hydroxy-3-oxo-2-[(2E)-3-phenylprop-2-en-1-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-({(2Z)-6-hydroxy-3-oxo-2-[(2E)-3-phenylprop-2-en-1-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: | Y041-5253 |
| Compound Name: | 3-({(2Z)-6-hydroxy-3-oxo-2-[(2E)-3-phenylprop-2-en-1-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: | 466.54 |
| Molecular Formula: | C29 H26 N2 O4 |
| Smiles: | C1[C@H]2CN(Cc3c(ccc4C(/C(=C/C=C/c5ccccc5)Oc34)=O)O)C[C@@H]1CN1C2=CC=CC1=O |
| Stereo: | ABSOLUTE |
| logP: | 5.0223 |
| logD: | 4.9715 |
| logSw: | -4.4901 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.027 |
| InChI Key: | NLCCTPSGZQKVPY-SFTDATJTSA-N |