5-bromo-N-[(1Z)-1-(4-methylphenyl)-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]pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-[(1Z)-1-(4-methylphenyl)-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]pyridine-3-carboxamide
5-bromo-N-[(1Z)-1-(4-methylphenyl)-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]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K617-0080 |
| Compound Name: | 5-bromo-N-[(1Z)-1-(4-methylphenyl)-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]pyridine-3-carboxamide |
| Molecular Weight: | 533.42 |
| Molecular Formula: | C27 H25 Br N4 O3 |
| Smiles: | Cc1ccc(/C=C(/C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)NC(c2cc(cnc2)[Br])=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2084 |
| logD: | 1.1801 |
| logSw: | -4.0599 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.118 |
| InChI Key: | RYNJVMYGDQNVLK-UHFFFAOYSA-N |