1-(1,3-benzoxazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(1,3-benzoxazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(1,3-benzoxazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0252 |
| Compound Name: | 1-(1,3-benzoxazol-2-yl)-4-(3-bromo-4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 453.29 |
| Molecular Formula: | C21 H17 Br N4 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3o2)n1)=O)c1ccc(c(c1)[Br])OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9075 |
| logD: | 3.9074 |
| logSw: | -4.1476 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.875 |
| InChI Key: | IGZAGJHWWGKWLP-CYBMUJFWSA-N |