5-chloro-N-[(1E)-1-(2-chloro-6-fluorophenyl)-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-methoxybenzamide
Chemical Structure Depiction of
5-chloro-N-[(1E)-1-(2-chloro-6-fluorophenyl)-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-methoxybenzamide
5-chloro-N-[(1E)-1-(2-chloro-6-fluorophenyl)-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-methoxybenzamide
Compound characteristics
| Compound ID: | K617-0003 |
| Compound Name: | 5-chloro-N-[(1E)-1-(2-chloro-6-fluorophenyl)-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-methoxybenzamide |
| Molecular Weight: | 556.42 |
| Molecular Formula: | C28 H24 Cl2 F N3 O4 |
| Smiles: | COc1ccc(cc1C(NC(=C\c1c(cccc1[Cl])F)\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9407 |
| logD: | -0.8265 |
| logSw: | -4.9834 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.141 |
| InChI Key: | KLEFXQHBPNITBJ-UHFFFAOYSA-N |