N-{5-[4-(2-chlorophenyl)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-(2-chlorophenyl)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-(2-chlorophenyl)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: | K781-1571 |
| Compound Name: | N-{5-[4-(2-chlorophenyl)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: | 676.17 |
| Molecular Formula: | C38 H34 Cl N5 O5 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(C1=Cc2ccccc2OC1=O)=O)C(N1CCN(CC1)c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4063 |
| logD: | 4.9459 |
| logSw: | -5.9812 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.012 |
| InChI Key: | QYOYBTGSAWFSBF-UHFFFAOYSA-N |