2-bromo-5-methoxy-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]benzamide
Chemical Structure Depiction of
2-bromo-5-methoxy-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]benzamide
2-bromo-5-methoxy-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]benzamide
Compound characteristics
| Compound ID: | K781-1674 |
| Compound Name: | 2-bromo-5-methoxy-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]benzamide |
| Molecular Weight: | 659.6 |
| Molecular Formula: | C33 H31 Br N4 O4 S |
| Smiles: | COc1ccc(c(c1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1ccccc1SC)=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1164 |
| logD: | 5.3721 |
| logSw: | -5.4897 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.419 |
| InChI Key: | LYRGEHXUCWTIBD-UHFFFAOYSA-N |