N-[5-{[2-(methylsulfanyl)phenyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]pyridine-4-carboxamide
Chemical Structure Depiction of
N-[5-{[2-(methylsulfanyl)phenyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]pyridine-4-carboxamide
N-[5-{[2-(methylsulfanyl)phenyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | K623-0780 |
| Compound Name: | N-[5-{[2-(methylsulfanyl)phenyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]pyridine-4-carboxamide |
| Molecular Weight: | 551.67 |
| Molecular Formula: | C31 H29 N5 O3 S |
| Smiles: | CSc1ccccc1NC(c1ccc(c(c1)NC(c1ccncc1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2472 |
| logD: | 3.1569 |
| logSw: | -4.2453 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.304 |
| InChI Key: | WUFHOZYLTWWVDH-UHFFFAOYSA-N |