N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P032-2020 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(methoxymethyl)-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C23 H21 N5 O5 |
| Smiles: | COCC1=CC2=NN(CC(NCc3ccc4c(c3)OCO4)=O)C(N2C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1389 |
| logD: | 2.118 |
| logSw: | -2.8456 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.342 |
| InChI Key: | DSAZXKZSUFCMEH-UHFFFAOYSA-N |