N-{5-[(5-chloro-2-methylphenyl)carbamoyl]-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-[(5-chloro-2-methylphenyl)carbamoyl]-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-[(5-chloro-2-methylphenyl)carbamoyl]-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: | K781-1682 |
| Compound Name: | N-{5-[(5-chloro-2-methylphenyl)carbamoyl]-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: | 621.09 |
| Molecular Formula: | C35 H29 Cl N4 O5 |
| Smiles: | Cc1ccc(cc1NC(c1ccc(c(c1)NC(C1=Cc2ccccc2OC1=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7547 |
| logD: | 4.1107 |
| logSw: | -5.9258 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.797 |
| InChI Key: | RFZIECFVCGGCFA-UHFFFAOYSA-N |