5-bromo-N-{5-[ethyl(3-methylphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-{5-[ethyl(3-methylphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}furan-2-carboxamide
5-bromo-N-{5-[ethyl(3-methylphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | K623-0427 |
| Compound Name: | 5-bromo-N-{5-[ethyl(3-methylphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}furan-2-carboxamide |
| Molecular Weight: | 615.53 |
| Molecular Formula: | C32 H31 Br N4 O4 |
| Smiles: | CCN(C(c1ccc(c(c1)NC(c1ccc(o1)[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)c1cccc(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1522 |
| logD: | 5.1152 |
| logSw: | -5.4396 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.756 |
| InChI Key: | JLUJTGCGSLOKOL-UHFFFAOYSA-N |