4-butoxy-N-[(1Z)-1-(2,3-dichlorophenyl)-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]benzamide
Chemical Structure Depiction of
4-butoxy-N-[(1Z)-1-(2,3-dichlorophenyl)-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]benzamide
4-butoxy-N-[(1Z)-1-(2,3-dichlorophenyl)-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]benzamide
Compound characteristics
| Compound ID: | K617-0074 |
| Compound Name: | 4-butoxy-N-[(1Z)-1-(2,3-dichlorophenyl)-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]benzamide |
| Molecular Weight: | 580.51 |
| Molecular Formula: | C31 H31 Cl2 N3 O4 |
| Smiles: | CCCCOc1ccc(cc1)C(NC(=C/c1cccc(c1[Cl])[Cl])\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5535 |
| logD: | 3.23 |
| logSw: | -6.4314 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.928 |
| InChI Key: | UBAAXLXZYMCUFV-UHFFFAOYSA-N |