N-(3-chloro-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-(3-chloro-4-methoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
N-(3-chloro-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: | 8018-2664 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide |
| Molecular Weight: | 389.9 |
| Molecular Formula: | C19 H20 Cl N3 O2 S |
| Smiles: | COc1ccc(cc1[Cl])NC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9055 |
| logD: | 3.9055 |
| logSw: | -4.3179 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.466 |
| InChI Key: | QCZFMLQHGNIRIY-UHFFFAOYSA-N |