N-[(1Z)-1-(3-bromophenyl)-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-chloro-4-methoxybenzamide
Chemical Structure Depiction of
N-[(1Z)-1-(3-bromophenyl)-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-chloro-4-methoxybenzamide
N-[(1Z)-1-(3-bromophenyl)-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-chloro-4-methoxybenzamide
Compound characteristics
| Compound ID: | K617-0164 |
| Compound Name: | N-[(1Z)-1-(3-bromophenyl)-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-chloro-4-methoxybenzamide |
| Molecular Weight: | 582.88 |
| Molecular Formula: | C28 H25 Br Cl N3 O4 |
| Smiles: | COc1ccc(C(NC(=C/c2cccc(c2)[Br])\C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)=O)c(c1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2729 |
| logD: | 1.9084 |
| logSw: | -5.9388 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.054 |
| InChI Key: | ZBCOCSATKFOKAR-UHFFFAOYSA-N |