3-[3-(2-oxo-2H-1-benzopyran-3-yl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-[3-(2-oxo-2H-1-benzopyran-3-yl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-[3-(2-oxo-2H-1-benzopyran-3-yl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y042-9094 |
| Compound Name: | 3-[3-(2-oxo-2H-1-benzopyran-3-yl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C27 H22 N2 O4 |
| Smiles: | C1[C@@H]2CN(C[C@@H]1C1=CC=CC(N1C2)=O)C(c1cccc(c1)C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.4154 |
| logD: | 3.4154 |
| logSw: | -3.8467 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.236 |
| InChI Key: | XMYMUEJXVCUOMX-UHFFFAOYSA-N |