N-{5-[(3,4-difluorophenyl)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-[(3,4-difluorophenyl)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-[(3,4-difluorophenyl)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: | K623-0645 |
| Compound Name: | N-{5-[(3,4-difluorophenyl)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: | 546.6 |
| Molecular Formula: | C29 H24 F2 N4 O3 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1cccs1)=O)C(Nc1ccc(c(c1)F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5117 |
| logD: | 5.1505 |
| logSw: | -5.8114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.592 |
| InChI Key: | JEJVKAZYEHYMAS-UHFFFAOYSA-N |