3-(2-bromobenzamido)-N-[(4-methoxyphenyl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
3-(2-bromobenzamido)-N-[(4-methoxyphenyl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-(2-bromobenzamido)-N-[(4-methoxyphenyl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K781-2091 |
| Compound Name: | 3-(2-bromobenzamido)-N-[(4-methoxyphenyl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 627.54 |
| Molecular Formula: | C33 H31 Br N4 O4 |
| Smiles: | COc1ccc(CNC(c2ccc(c(c2)NC(c2ccccc2[Br])=O)N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2001 |
| logD: | 4.4809 |
| logSw: | -5.0457 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.439 |
| InChI Key: | ZCKVAPOKBZRBKZ-UHFFFAOYSA-N |