5-[(3-methoxyanilino)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3-methoxyanilino)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3-methoxyanilino)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0441 |
| Compound Name: | 5-[(3-methoxyanilino)methyl]-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 418.5 |
| Molecular Formula: | C23 H26 N6 O2 |
| Smiles: | CC(C)c1ccc(CNc2nc3NC(CNc4cccc(c4)OC)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9645 |
| logD: | 3.6786 |
| logSw: | -4.1672 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.759 |
| InChI Key: | JWIVTXMNIKMDCA-UHFFFAOYSA-N |