N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)-N-[(2,4,6-trifluorophenyl)methyl]glycinamide
Chemical Structure Depiction of
N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)-N-[(2,4,6-trifluorophenyl)methyl]glycinamide
N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)-N-[(2,4,6-trifluorophenyl)methyl]glycinamide
Compound characteristics
| Compound ID: | K784-9044 |
| Compound Name: | N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)-N-[(2,4,6-trifluorophenyl)methyl]glycinamide |
| Molecular Weight: | 450.48 |
| Molecular Formula: | C21 H21 F3 N4 O2 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(NCC(NCc1c(cc(cc1F)F)F)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.402 |
| logD: | 3.402 |
| logSw: | -3.7941 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.629 |
| InChI Key: | MGOZQZZZMYFTMQ-UHFFFAOYSA-N |