5-[(2,4-dimethoxyanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2,4-dimethoxyanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2,4-dimethoxyanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0588 |
| Compound Name: | 5-[(2,4-dimethoxyanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C19 H20 N6 O3 S |
| Smiles: | COc1ccc(c(c1)OC)NCC1=CC(n2c(N1)nc(NCc1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4968 |
| logD: | 2.2076 |
| logSw: | -3.0175 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.71 |
| InChI Key: | WMQWXSYRJMQAAD-UHFFFAOYSA-N |