5-[(3-chloroanilino)methyl]-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3-chloroanilino)methyl]-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3-chloroanilino)methyl]-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0531 |
| Compound Name: | 5-[(3-chloroanilino)methyl]-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 424.89 |
| Molecular Formula: | C21 H21 Cl N6 O2 |
| Smiles: | CCOc1ccc(CNc2nc3NC(CNc4cccc(c4)[Cl])=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6824 |
| logD: | 3.3966 |
| logSw: | -4.0044 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.339 |
| InChI Key: | NURKLGNFYIJROV-UHFFFAOYSA-N |