3-(4-chlorophenyl)-4-(2,6-dimethoxybenzoyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-(2,6-dimethoxybenzoyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-(4-chlorophenyl)-4-(2,6-dimethoxybenzoyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1812 |
| Compound Name: | 3-(4-chlorophenyl)-4-(2,6-dimethoxybenzoyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 411.84 |
| Molecular Formula: | C21 H18 Cl N3 O4 |
| Smiles: | COc1cccc(c1C(C1CC(Nc2c1c(c1ccc(cc1)[Cl])n[nH]2)=O)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4386 |
| logD: | 2.3791 |
| logSw: | -3.6324 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.623 |
| InChI Key: | MDZWWZDJGDBEKW-CYBMUJFWSA-N |