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-bromo-5-methoxybenzamide
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-bromo-5-methoxybenzamide
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-bromo-5-methoxybenzamide
Compound characteristics
| Compound ID: | K781-1425 |
| 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-bromo-5-methoxybenzamide |
| Molecular Weight: | 687.66 |
| Molecular Formula: | C35 H35 Br N4 O4 S |
| Smiles: | COc1ccc(c(c1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCCSCc1ccccc1)=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9869 |
| logD: | 5.6761 |
| logSw: | -5.4966 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.281 |
| InChI Key: | MZTKHSAHFHXECB-UHFFFAOYSA-N |