3-[(4-bromobenzene-1-sulfonyl)amino]-N-[(2-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-[(4-bromobenzene-1-sulfonyl)amino]-N-[(2-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-[(4-bromobenzene-1-sulfonyl)amino]-N-[(2-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: | K622-0395 |
| Compound Name: | 3-[(4-bromobenzene-1-sulfonyl)amino]-N-[(2-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: | 663.59 |
| Molecular Formula: | C32 H31 Br N4 O5 S |
| Smiles: | COc1ccccc1CNC(c1ccc(c(c1)NS(c1ccc(cc1)[Br])(=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6994 |
| logD: | 3.1892 |
| logSw: | -5.4876 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.084 |
| InChI Key: | LGFGTXKELZWGKX-UHFFFAOYSA-N |