N-[(3-ethoxyphenyl)methyl]-1-methyl-4-(thiomorpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-[(3-ethoxyphenyl)methyl]-1-methyl-4-(thiomorpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide
N-[(3-ethoxyphenyl)methyl]-1-methyl-4-(thiomorpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | P857-0947 |
| Compound Name: | N-[(3-ethoxyphenyl)methyl]-1-methyl-4-(thiomorpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C20 H24 N6 O2 S |
| Smiles: | CCOc1cccc(CNC(c2nc(c3cnn(C)c3n2)N2CCSCC2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8243 |
| logD: | 2.8243 |
| logSw: | -3.2288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.58 |
| InChI Key: | KQYPYDUXMDFLJI-UHFFFAOYSA-N |