2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D043-0175 |
| Compound Name: | 2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C17 H21 N5 O3 |
| Smiles: | CCCC1=CC(n2c(N1)nc(NCc1ccc(c(c1)OC)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0187 |
| logD: | 1.6199 |
| logSw: | -2.7654 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.242 |
| InChI Key: | NXLYPFYBQKOKFL-UHFFFAOYSA-N |