N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Compound characteristics
| Compound ID: | C656-0331 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C21 H18 N6 O4 |
| Smiles: | Cc1ccc(cc1)n1c2c(C(N(CC(Nc3ccc4c(c3)OCCO4)=O)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 1.2892 |
| logD: | 1.2892 |
| logSw: | -2.3058 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.131 |
| InChI Key: | RFRBARIAUXXTNS-UHFFFAOYSA-N |