2-chloro-N-[(1Z)-1-(3-chlorophenyl)-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]-4-methoxybenzamide
Chemical Structure Depiction of
2-chloro-N-[(1Z)-1-(3-chlorophenyl)-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]-4-methoxybenzamide
2-chloro-N-[(1Z)-1-(3-chlorophenyl)-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]-4-methoxybenzamide
Compound characteristics
| Compound ID: | K617-0165 |
| Compound Name: | 2-chloro-N-[(1Z)-1-(3-chlorophenyl)-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]-4-methoxybenzamide |
| Molecular Weight: | 538.43 |
| Molecular Formula: | C28 H25 Cl2 N3 O4 |
| Smiles: | COc1ccc(C(NC(=C/c2cccc(c2)[Cl])\C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)=O)c(c1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0295 |
| logD: | 1.6651 |
| logSw: | -5.3215 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.054 |
| InChI Key: | XSHAQOQNEFALAT-UHFFFAOYSA-N |