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]pyridine-4-carboxamide
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]pyridine-4-carboxamide
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]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | K623-0186 |
| 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]pyridine-4-carboxamide |
| Molecular Weight: | 579.72 |
| Molecular Formula: | C33 H33 N5 O3 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1ccncc1)=O)C(NCCSCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1178 |
| logD: | 3.5615 |
| logSw: | -4.3533 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.165 |
| InChI Key: | NOIPOLMUFSZVII-UHFFFAOYSA-N |