4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzoic acid
4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzoic acid
Compound characteristics
| Compound ID: | K786-0205 |
| Compound Name: | 4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzoic acid |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C19 H19 N3 O3 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(Nc1ccc(cc1)C(O)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2431 |
| logD: | 0.8479 |
| logSw: | -3.4539 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.244 |
| InChI Key: | DGTSLXNMDRIFEF-UHFFFAOYSA-N |