N-{5-[(2-fluorophenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{5-[(2-fluorophenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}thiophene-2-carboxamide
N-{5-[(2-fluorophenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | K623-0711 |
| Compound Name: | N-{5-[(2-fluorophenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}thiophene-2-carboxamide |
| Molecular Weight: | 528.6 |
| Molecular Formula: | C29 H25 F N4 O3 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1cccs1)=O)C(Nc1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1334 |
| logD: | 5.0303 |
| logSw: | -5.4222 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.894 |
| InChI Key: | NMSQKTVSQNJMCZ-UHFFFAOYSA-N |