1-(1,3-benzothiazol-2-yl)-4-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-4-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzothiazol-2-yl)-4-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-0164 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C24 H22 N4 O3 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3s2)n1)=O)c1cccc(c1OCC=C)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5499 |
| logD: | 4.5479 |
| logSw: | -4.4541 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.848 |
| InChI Key: | OITFJCVFCASPNK-INIZCTEOSA-N |