4-(2H-1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2H-1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0112 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 390.42 |
| Molecular Formula: | C20 H14 N4 O3 S |
| Smiles: | C1C(c2ccc3c(c2)OCO3)c2cnn(c2NC1=O)c1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0981 |
| logD: | 4.098 |
| logSw: | -4.2694 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.389 |
| InChI Key: | KAGGKITZZRGBRE-LBPRGKRZSA-N |