N-(3-bromophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Chemical Structure Depiction of
N-(3-bromophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
N-(3-bromophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Compound characteristics
| Compound ID: | 3342-1905 |
| Compound Name: | N-(3-bromophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide |
| Molecular Weight: | 404.33 |
| Molecular Formula: | C18 H18 Br N3 O S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(Nc1cccc(c1)[Br])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.203 |
| logD: | 4.203 |
| logSw: | -4.3643 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.8356 |
| InChI Key: | LYYZVNZSUONOEC-UHFFFAOYSA-N |