6-benzyl-2-{[(2,5-dimethoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-2-{[(2,5-dimethoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-2-{[(2,5-dimethoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0428 |
| Compound Name: | 6-benzyl-2-{[(2,5-dimethoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(n2c(N1)nc(NCc1cc(ccc1OC)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.491 |
| logD: | 3.4795 |
| logSw: | -3.7887 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.795 |
| InChI Key: | SSHAKOKZTGLCEE-UHFFFAOYSA-N |