5-(3,4-dimethylanilino)-7-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
5-(3,4-dimethylanilino)-7-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
5-(3,4-dimethylanilino)-7-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P572-7700 |
| Compound Name: | 5-(3,4-dimethylanilino)-7-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | CC1CCN(CC1)C(CN1C(N2C(C=C(C)N=C2Nc2ccc(C)c(C)c2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3863 |
| logD: | 3.3861 |
| logSw: | -3.5346 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.038 |
| InChI Key: | XYIAEVRFSIKWGJ-UHFFFAOYSA-N |