4-[1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
					Chemical Structure Depiction of
4-[1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
			4-[1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
Compound characteristics
| Compound ID: | J094-0088 | 
| Compound Name: | 4-[1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid | 
| Molecular Weight: | 483.34 | 
| Molecular Formula: | C21 H15 Br N4 O3 S | 
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccc(cc3s2)[Br])n1)=O)c1ccc(cc1)C(O)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 4.5954 | 
| logD: | 1.6239 | 
| logSw: | -4.2723 | 
| Hydrogen bond acceptors count: | 7 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 77.035 | 
| InChI Key: | XTWNYZIDTVAWLH-AWEZNQCLSA-N | 
 
				 
				