4-(4-bromothiophen-2-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(4-bromothiophen-2-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(4-bromothiophen-2-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0833 |
| Compound Name: | 4-(4-bromothiophen-2-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 489.41 |
| Molecular Formula: | C20 H17 Br N4 O2 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2cc(cs2)[Br])c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0737 |
| logD: | 4.9911 |
| logSw: | -4.8085 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.769 |
| InChI Key: | KTMFDRLTLCSRBB-ZDUSSCGKSA-N |