2-bromo-5-methoxy-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}benzamide
Chemical Structure Depiction of
2-bromo-5-methoxy-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}benzamide
2-bromo-5-methoxy-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}benzamide
Compound characteristics
| Compound ID: | K781-0992 |
| Compound Name: | 2-bromo-5-methoxy-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}benzamide |
| Molecular Weight: | 703.59 |
| Molecular Formula: | C35 H35 Br N4 O7 |
| Smiles: | COc1ccc(c(c1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1cc(c(c(c1)OC)OC)OC)=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2432 |
| logD: | 4.4989 |
| logSw: | -5.063 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.095 |
| InChI Key: | ZHPSEADTSKRRMI-UHFFFAOYSA-N |