N-[(1Z)-1-(3-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]-4-methylbenzamide
Chemical Structure Depiction of
N-[(1Z)-1-(3-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]-4-methylbenzamide
N-[(1Z)-1-(3-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]-4-methylbenzamide
Compound characteristics
| Compound ID: | K617-0113 |
| Compound Name: | N-[(1Z)-1-(3-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]-4-methylbenzamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C28 H26 F N3 O3 |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1cccc(c1)F)\C(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3152 |
| logD: | 1.4855 |
| logSw: | -4.3486 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.51 |
| InChI Key: | VHQXPTWKBKXKRO-UHFFFAOYSA-N |