3-{[4-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)phenoxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-{[4-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)phenoxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-{[4-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)phenoxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-5942 |
| Compound Name: | 3-{[4-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)phenoxy]acetyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C29 H26 N2 O6 |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1ccc(cc1)OCC(N1C[C@@H]2C[C@H](C1)CN1C2=CC=CC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2301 |
| logD: | 3.2301 |
| logSw: | -3.5265 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.522 |
| InChI Key: | GQRUIQCTCUHKPP-RXVVDRJESA-N |