2-(2-chloro-6-fluorophenyl)-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}acetamide
Chemical Structure Depiction of
2-(2-chloro-6-fluorophenyl)-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}acetamide
2-(2-chloro-6-fluorophenyl)-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}acetamide
Compound characteristics
| Compound ID: | K623-0628 |
| Compound Name: | 2-(2-chloro-6-fluorophenyl)-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}acetamide |
| Molecular Weight: | 670.18 |
| Molecular Formula: | C37 H37 Cl F N5 O4 |
| Smiles: | COc1ccccc1N1CCN(CC1)C(c1ccc(c(c1)NC(Cc1c(cccc1[Cl])F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3736 |
| logD: | 5.3684 |
| logSw: | -5.9408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.507 |
| InChI Key: | ZSELPMAMYXFJML-UHFFFAOYSA-N |