N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(7-methyl-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-methyl-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-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | P032-1262 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C22 H19 N5 O4 |
| Smiles: | CC1=CC2=NN(CC(NCc3ccc4c(c3)OCO4)=O)C(N2C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4409 |
| logD: | 2.4077 |
| logSw: | -2.9078 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.311 |
| InChI Key: | CMTKVENJJWAFBN-UHFFFAOYSA-N |