N-[5-{[(3-chlorophenyl)methyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]pyridine-4-carboxamide
Chemical Structure Depiction of
N-[5-{[(3-chlorophenyl)methyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]pyridine-4-carboxamide
N-[5-{[(3-chlorophenyl)methyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | K623-0065 |
| Compound Name: | N-[5-{[(3-chlorophenyl)methyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]pyridine-4-carboxamide |
| Molecular Weight: | 554.05 |
| Molecular Formula: | C31 H28 Cl N5 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1ccncc1)=O)C(NCc1cccc(c1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3567 |
| logD: | 3.8004 |
| logSw: | -4.6537 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.324 |
| InChI Key: | UAMYHSRUEMVXPF-UHFFFAOYSA-N |