N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P572-4911 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-methyl-5-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C23 H22 N6 O4 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc4c(c3)OCCO4)=O)C(N2C(Nc2ccc(C)cc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5147 |
| logD: | 2.5146 |
| logSw: | -2.9568 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.618 |
| InChI Key: | FUHRQCSQSMXAEI-UHFFFAOYSA-N |