N-{5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-2-oxo-2H-1-benzopyran-3-carboxamide
N-{5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K781-1926 |
| Compound Name: | N-{5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 671.75 |
| Molecular Formula: | C39 H37 N5 O6 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc(c(c1)NC(C1=Cc2ccccc2OC1=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8356 |
| logD: | 4.3752 |
| logSw: | -4.6199 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.856 |
| InChI Key: | AANPMXFFDKJOQQ-UHFFFAOYSA-N |