N-{5-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-2,6-difluorobenzamide
Chemical Structure Depiction of
N-{5-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-2,6-difluorobenzamide
N-{5-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-2,6-difluorobenzamide
Compound characteristics
| Compound ID: | K781-1757 |
| Compound Name: | N-{5-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-2,6-difluorobenzamide |
| Molecular Weight: | 635.07 |
| Molecular Formula: | C33 H29 Cl F2 N4 O5 |
| Smiles: | COc1cc(c(cc1NC(c1ccc(c(c1)NC(c1c(cccc1F)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)[Cl])OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0339 |
| logD: | 3.8259 |
| logSw: | -6.3441 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.136 |
| InChI Key: | BDMQZBMNWOQFFU-UHFFFAOYSA-N |