1-(3-chloro-2-methylphenyl)-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(3-chloro-2-methylphenyl)-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(3-chloro-2-methylphenyl)-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J012-2153 |
| Compound Name: | 1-(3-chloro-2-methylphenyl)-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 393.87 |
| Molecular Formula: | C22 H20 Cl N3 O2 |
| Smiles: | Cc1c(cccc1[Cl])n1c2c(cn1)C(CC(N2)=O)c1ccc(cc1)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8354 |
| logD: | 4.8352 |
| logSw: | -4.9294 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.855 |
| InChI Key: | KOCXBHRVXOOSER-KRWDZBQOSA-N |