4-bromo-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)benzamide
Chemical Structure Depiction of
4-bromo-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)benzamide
4-bromo-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)benzamide
Compound characteristics
Compound ID: | 8009-7966 |
Compound Name: | 4-bromo-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)benzamide |
Molecular Weight: | 432.34 |
Molecular Formula: | C19 H18 Br N3 O2 S |
Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(NC(c1ccc(cc1)[Br])=O)=S |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.5925 |
logD: | 3.5898 |
logSw: | -3.7574 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.014 |
InChI Key: | NHVZXZZUXMPHEW-UHFFFAOYSA-N |