N-[2-(benzylsulfanyl)ethyl]-3-(2-chlorobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-(2-chlorobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-[2-(benzylsulfanyl)ethyl]-3-(2-chlorobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K781-1432 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-(2-chlorobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 613.18 |
| Molecular Formula: | C34 H33 Cl N4 O3 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1ccccc1[Cl])=O)C(NCCSCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.822 |
| logD: | 5.1028 |
| logSw: | -5.7472 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.737 |
| InChI Key: | JELSRVYSPYYDRL-UHFFFAOYSA-N |