N-(3-chloro-2-methylphenyl)-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-2-methylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
N-(3-chloro-2-methylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Compound characteristics
| Compound ID: | 3342-1914 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide |
| Molecular Weight: | 373.9 |
| Molecular Formula: | C19 H20 Cl N3 O S |
| Smiles: | Cc1c(cccc1[Cl])NC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5459 |
| logD: | 4.5459 |
| logSw: | -4.4532 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.1378 |
| InChI Key: | OOBUIHNECFZFCS-UHFFFAOYSA-N |