N-[5-(4-benzylpiperazine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-4-bromobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[5-(4-benzylpiperazine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-4-bromobenzene-1-sulfonamide
N-[5-(4-benzylpiperazine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-4-bromobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | K622-0355 |
| Compound Name: | N-[5-(4-benzylpiperazine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-4-bromobenzene-1-sulfonamide |
| Molecular Weight: | 702.67 |
| Molecular Formula: | C35 H36 Br N5 O4 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NS(c1ccc(cc1)[Br])(=O)=O)C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1255 |
| logD: | 3.3294 |
| logSw: | -5.4338 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.229 |
| InChI Key: | HIBJCULYZSIUNF-UHFFFAOYSA-N |