1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(3-ethoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(3-ethoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(3-ethoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-1113 |
| Compound Name: | 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(3-ethoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 460.92 |
| Molecular Formula: | C24 H21 Cl N6 O2 |
| Smiles: | CCOc1cccc(c1)C1CC(Nc2c1c(C)nn2c1nc(cnn1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3831 |
| logD: | 4.3826 |
| logSw: | -4.6012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.498 |
| InChI Key: | OQZOLBASSAMVJN-IBGZPJMESA-N |