5-[(2,3-dimethylanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2,3-dimethylanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2,3-dimethylanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0211 |
| Compound Name: | 5-[(2,3-dimethylanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C21 H21 N5 O2 |
| Smiles: | Cc1cccc(c1C)NCC1=CC(n2c(N1)nc(c1ccc(cc1)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1221 |
| logD: | 3.919 |
| logSw: | -4.324 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.421 |
| InChI Key: | YLRDOESXRBFJLY-UHFFFAOYSA-N |