3-[4-(diethylamino)benzamido]-N-[2-(methylsulfanyl)phenyl]-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
3-[4-(diethylamino)benzamido]-N-[2-(methylsulfanyl)phenyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-[4-(diethylamino)benzamido]-N-[2-(methylsulfanyl)phenyl]-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: | K623-0772 |
| Compound Name: | 3-[4-(diethylamino)benzamido]-N-[2-(methylsulfanyl)phenyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 621.8 |
| Molecular Formula: | C36 H39 N5 O3 S |
| Smiles: | CCN(CC)c1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1ccccc1SC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3068 |
| logD: | 5.6674 |
| logSw: | -5.5299 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.612 |
| InChI Key: | XMQOLTKTLHKMDZ-UHFFFAOYSA-N |