dimethyl 2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzene-1,4-dicarboxylate
dimethyl 2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1773 |
| Compound Name: | dimethyl 2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzene-1,4-dicarboxylate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5534 |
| logD: | 3.5531 |
| logSw: | -3.8341 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.485 |
| InChI Key: | YFBMUBWURXPHQP-UHFFFAOYSA-N |