3-[(4-bromobenzene-1-sulfonyl)amino]-N-[2-(4-chlorophenyl)ethyl]-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-[(4-bromobenzene-1-sulfonyl)amino]-N-[2-(4-chlorophenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-[(4-bromobenzene-1-sulfonyl)amino]-N-[2-(4-chlorophenyl)ethyl]-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: | K622-0499 |
| Compound Name: | 3-[(4-bromobenzene-1-sulfonyl)amino]-N-[2-(4-chlorophenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 682.04 |
| Molecular Formula: | C32 H30 Br Cl N4 O4 S |
| Smiles: | C(CNC(c1ccc(c(c1)NS(c1ccc(cc1)[Br])(=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0064 |
| logD: | 3.4962 |
| logSw: | -6.3298 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.296 |
| InChI Key: | BTSQYGSZCVHIOO-UHFFFAOYSA-N |