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-oxo-2H-1-benzopyran-3-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]-2-oxo-2H-1-benzopyran-3-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]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K781-1427 |
| 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-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 646.77 |
| Molecular Formula: | C37 H34 N4 O5 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(C1=Cc2ccccc2OC1=O)=O)C(NCCSCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2237 |
| logD: | 4.1864 |
| logSw: | -5.4915 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.659 |
| InChI Key: | VGPBAWUMFDBAPG-UHFFFAOYSA-N |