N-[5-{[2-(benzylsulfanyl)ethyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2,6-difluorobenzamide
Chemical Structure Depiction of
N-[5-{[2-(benzylsulfanyl)ethyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2,6-difluorobenzamide
N-[5-{[2-(benzylsulfanyl)ethyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2,6-difluorobenzamide
Compound characteristics
| Compound ID: | K781-1431 |
| Compound Name: | N-[5-{[2-(benzylsulfanyl)ethyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2,6-difluorobenzamide |
| Molecular Weight: | 614.71 |
| Molecular Formula: | C34 H32 F2 N4 O3 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1c(cccc1F)F)=O)C(NCCSCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6612 |
| logD: | 4.0829 |
| logSw: | -5.9444 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.737 |
| InChI Key: | WFPPVCMMXLOKBI-UHFFFAOYSA-N |