N-[(1Z)-1-(5-bromo-2-methoxyphenyl)-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-(5-bromo-2-methoxyphenyl)-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-(5-bromo-2-methoxyphenyl)-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: | K617-0128 |
| Compound Name: | N-[(1Z)-1-(5-bromo-2-methoxyphenyl)-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: | 566.43 |
| Molecular Formula: | C28 H25 Br F N3 O4 |
| Smiles: | COc1ccc(cc1/C=C(/C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)NC(c1ccccc1F)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7752 |
| logD: | 1.7144 |
| logSw: | -4.593 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.141 |
| InChI Key: | ZTHYFYTVFUGDAB-UHFFFAOYSA-N |