2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(3-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(3-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(3-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0384 |
| Compound Name: | 2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(3-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C22 H24 N6 O3 |
| Smiles: | Cc1cccc(c1)NCC1=CC(n2c(N1)nc(NCc1ccc(c(c1)OC)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5348 |
| logD: | 2.2489 |
| logSw: | -2.8702 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.476 |
| InChI Key: | BGLIWJAVWJDJRG-UHFFFAOYSA-N |