2,5-dichloro-N-[(1E)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide
Chemical Structure Depiction of
2,5-dichloro-N-[(1E)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide
2,5-dichloro-N-[(1E)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | K617-0007 |
| Compound Name: | 2,5-dichloro-N-[(1E)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide |
| Molecular Weight: | 514.43 |
| Molecular Formula: | C25 H21 Cl2 N3 O3 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(/C(=C\c1cccs1)NC(c1cc(ccc1[Cl])[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7572 |
| logD: | 2.213 |
| logSw: | -5.0547 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.528 |
| InChI Key: | FQICJKJBDXIGIP-UHFFFAOYSA-N |