4-fluoro-N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-fluoro-N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}benzene-1-sulfonamide
4-fluoro-N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K784-5725 |
| Compound Name: | 4-fluoro-N-{2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}benzene-1-sulfonamide |
| Molecular Weight: | 628.73 |
| Molecular Formula: | C33 H33 F N6 O4 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NS(c1ccc(cc1)F)(=O)=O)C(N1CCN(CC1)c1ccccn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3072 |
| logD: | 2.5112 |
| logSw: | -4.3843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.461 |
| InChI Key: | GKBINBMSSGNPTI-UHFFFAOYSA-N |