3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(2-methyl-1-benzothiophen-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(2-methyl-1-benzothiophen-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(2-methyl-1-benzothiophen-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0876 |
| Compound Name: | 3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(2-methyl-1-benzothiophen-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 444.58 |
| Molecular Formula: | C24 H20 N4 O S2 |
| Smiles: | Cc1ccc2c(c1)sc(n2)n1c2c(C(CC(N2)=O)c2c3ccccc3sc2C)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8154 |
| logD: | 5.8101 |
| logSw: | -5.6968 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.373 |
| InChI Key: | IPFGETVFXXQGOU-MRXNPFEDSA-N |