N-(4-methoxyphenyl)-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-(4-methoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
N-(4-methoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Compound characteristics
| Compound ID: | 3342-1909 |
| Compound Name: | N-(4-methoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide |
| Molecular Weight: | 355.46 |
| Molecular Formula: | C19 H21 N3 O2 S |
| Smiles: | COc1ccc(cc1)NC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3773 |
| logD: | 3.3773 |
| logSw: | -3.5591 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.379 |
| InChI Key: | HHWXBQAOTZIKNZ-UHFFFAOYSA-N |