N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Compound characteristics
| Compound ID: | C656-0578 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide |
| Molecular Weight: | 434.41 |
| Molecular Formula: | C21 H18 N6 O5 |
| Smiles: | COc1cccc(c1)n1c2c(C(N(CC(NCc3ccc4c(c3)OCO4)=O)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 1.543 |
| logD: | 1.543 |
| logSw: | -2.3724 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.289 |
| InChI Key: | NOHMKQXKOWNRGJ-UHFFFAOYSA-N |