1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0544 |
| Compound Name: | 1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 509.45 |
| Molecular Formula: | C23 H17 Br N4 O S2 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccc(cc3s2)[Br])n1)=O)c1c2ccccc2sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1534 |
| logD: | 6.1515 |
| logSw: | -5.7049 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.373 |
| InChI Key: | DMQJYYKLYIOFHG-OAHLLOKOSA-N |