N-[5-(4-acetylpiperazine-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-acetylpiperazine-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-acetylpiperazine-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: | K781-1203 |
| Compound Name: | N-[5-(4-acetylpiperazine-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: | 607.67 |
| Molecular Formula: | C34 H33 N5 O6 |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(c(c1)NC(C1=Cc2ccccc2OC1=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7386 |
| logD: | 2.2782 |
| logSw: | -3.4503 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.248 |
| InChI Key: | UTTNTVFWYXHYLM-UHFFFAOYSA-N |