2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D043-0147 |
| Compound Name: | 2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C20 H19 N5 O3 |
| Smiles: | COc1ccc(CNc2nc3NC(=CC(n3n2)=O)c2ccccc2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.4352 |
| logD: | 1.8983 |
| logSw: | -3.0985 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.864 |
| InChI Key: | SHCIDPYJQUEIER-UHFFFAOYSA-N |