N-{5-[4-(2-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}pyridine-3-carboxamide
Chemical Structure Depiction of
N-{5-[4-(2-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}pyridine-3-carboxamide
N-{5-[4-(2-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}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K623-0632 |
| Compound Name: | N-{5-[4-(2-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}pyridine-3-carboxamide |
| Molecular Weight: | 604.71 |
| Molecular Formula: | C35 H36 N6 O4 |
| Smiles: | COc1ccccc1N1CCN(CC1)C(c1ccc(c(c1)NC(c1cccnc1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6874 |
| logD: | 3.6071 |
| logSw: | -3.9124 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.238 |
| InChI Key: | VERLWWKOKBZKAH-UHFFFAOYSA-N |