5-bromo-N-{5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-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-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-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-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-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: | K623-0449 |
| Compound Name: | 5-bromo-N-{5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-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: | 670.61 |
| Molecular Formula: | C35 H36 Br N5 O4 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1ccc(c(c1)NC(c1ccc(o1)[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.892 |
| logD: | 5.377 |
| logSw: | -5.3858 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.535 |
| InChI Key: | TXVMMQAUMGQKMM-UHFFFAOYSA-N |