5-bromo-N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}furan-2-carboxamide
5-bromo-N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | K623-0416 |
| Compound Name: | 5-bromo-N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[(3,4,5-trimethoxyphenyl)carbamoyl]phenyl}furan-2-carboxamide |
| Molecular Weight: | 663.53 |
| Molecular Formula: | C32 H31 Br N4 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(c1ccc(c(c1)NC(c1ccc(o1)[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7604 |
| logD: | 3.0371 |
| logSw: | -4.5712 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.477 |
| InChI Key: | JEKDNVYOEUYRSL-UHFFFAOYSA-N |