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 |