2-(4-chlorophenyl)-5-[(2,4-dimethoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-5-[(2,4-dimethoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(4-chlorophenyl)-5-[(2,4-dimethoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0097 |
| Compound Name: | 2-(4-chlorophenyl)-5-[(2,4-dimethoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 411.85 |
| Molecular Formula: | C20 H18 Cl N5 O3 |
| Smiles: | COc1ccc(c(c1)OC)NCC1=CC(n2c(N1)nc(c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.699 |
| logD: | 3.4926 |
| logSw: | -4.3775 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.051 |
| InChI Key: | RHQUWFHUNQRRRL-UHFFFAOYSA-N |