N-[3-cyano-4-(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-[3-cyano-4-(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-[3-cyano-4-(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: | R052-1682 |
| Compound Name: | N-[3-cyano-4-(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: | 416.5 |
| Molecular Formula: | C23 H20 N4 O2 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1C#N)NC(c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8366 |
| logD: | 3.8358 |
| logSw: | -4.189 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.255 |
| InChI Key: | QZYFDAIYZSHBPP-UHFFFAOYSA-N |