4-(2H-1,3-benzodioxole-5-carbonyl)-3-(4-chlorophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxole-5-carbonyl)-3-(4-chlorophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2H-1,3-benzodioxole-5-carbonyl)-3-(4-chlorophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1810 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-3-(4-chlorophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 395.8 |
| Molecular Formula: | C20 H14 Cl N3 O4 |
| Smiles: | C1C(C(c2ccc3c(c2)OCO3)=O)c2c(c3ccc(cc3)[Cl])n[nH]c2NC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1518 |
| logD: | 3.0924 |
| logSw: | -3.6217 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.478 |
| InChI Key: | LMCGTEFSJJMIFS-CYBMUJFWSA-N |