N-[5-(4-benzylpiperazine-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-(2-chloro-6-fluorophenyl)acetamide
Chemical Structure Depiction of
N-[5-(4-benzylpiperazine-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-(2-chloro-6-fluorophenyl)acetamide
N-[5-(4-benzylpiperazine-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-(2-chloro-6-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | K623-0485 |
| Compound Name: | N-[5-(4-benzylpiperazine-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-(2-chloro-6-fluorophenyl)acetamide |
| Molecular Weight: | 654.19 |
| Molecular Formula: | C37 H37 Cl F N5 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(Cc1c(cccc1[Cl])F)=O)C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0539 |
| logD: | 5.0333 |
| logSw: | -5.4663 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.458 |
| InChI Key: | NTLFXGAMZYNQEE-UHFFFAOYSA-N |