1-(3-chloro-2-methylphenyl)-4-(2,4,5-trimethoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(3-chloro-2-methylphenyl)-4-(2,4,5-trimethoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(3-chloro-2-methylphenyl)-4-(2,4,5-trimethoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J012-2168 |
| Compound Name: | 1-(3-chloro-2-methylphenyl)-4-(2,4,5-trimethoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 427.89 |
| Molecular Formula: | C22 H22 Cl N3 O4 |
| Smiles: | Cc1c(cccc1[Cl])n1c2c(cn1)C(CC(N2)=O)c1cc(c(cc1OC)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7952 |
| logD: | 3.795 |
| logSw: | -4.0992 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.328 |
| InChI Key: | SOTWSEICUDKVJQ-ZDUSSCGKSA-N |