5-[(2,4-dimethoxyanilino)methyl]-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2,4-dimethoxyanilino)methyl]-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2,4-dimethoxyanilino)methyl]-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0472 |
| Compound Name: | 5-[(2,4-dimethoxyanilino)methyl]-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | Cc1cccc(c1)c1nc2NC(CNc3ccc(cc3OC)OC)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4736 |
| logD: | 3.2671 |
| logSw: | -3.7751 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.051 |
| InChI Key: | NGSLDTNTGAWIQA-UHFFFAOYSA-N |