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]-5-bromofuran-2-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]-5-bromofuran-2-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]-5-bromofuran-2-carboxamide
Compound characteristics
| Compound ID: | K623-0185 |
| 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]-5-bromofuran-2-carboxamide |
| Molecular Weight: | 647.59 |
| Molecular Formula: | C32 H31 Br N4 O4 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1ccc(o1)[Br])=O)C(NCCSCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5041 |
| logD: | 4.3928 |
| logSw: | -5.8401 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.663 |
| InChI Key: | CJVRFERQRKEWBZ-UHFFFAOYSA-N |