3-[(4-bromobenzene-1-sulfonyl)amino]-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-[(4-bromobenzene-1-sulfonyl)amino]-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-[(4-bromobenzene-1-sulfonyl)amino]-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: | K622-0251 |
| Compound Name: | 3-[(4-bromobenzene-1-sulfonyl)amino]-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: | 663.59 |
| Molecular Formula: | C32 H31 Br N4 O5 S |
| Smiles: | COc1ccc(CNC(c2ccc(c(c2)NS(c2ccc(cc2)[Br])(=O)=O)N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4605 |
| logD: | 2.9503 |
| logSw: | -5.4052 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.998 |
| InChI Key: | RUJXKJAIVIMVIY-UHFFFAOYSA-N |