N-[(1Z)-1-(4-bromothiophen-2-yl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-2-fluorobenzamide
Chemical Structure Depiction of
N-[(1Z)-1-(4-bromothiophen-2-yl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-2-fluorobenzamide
N-[(1Z)-1-(4-bromothiophen-2-yl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | K617-0124 |
| Compound Name: | N-[(1Z)-1-(4-bromothiophen-2-yl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]-2-fluorobenzamide |
| Molecular Weight: | 542.43 |
| Molecular Formula: | C25 H21 Br F N3 O3 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(/C(=C/c1cc(cs1)[Br])NC(c1ccccc1F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4549 |
| logD: | 1.8698 |
| logSw: | -4.4901 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.528 |
| InChI Key: | GLAIGOBCUIOCQK-UHFFFAOYSA-N |