5-(anilinomethyl)-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-(anilinomethyl)-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-(anilinomethyl)-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0423 |
| Compound Name: | 5-(anilinomethyl)-2-({[4-(propan-2-yl)phenyl]methyl}amino)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C22 H24 N6 O |
| Smiles: | CC(C)c1ccc(CNc2nc3NC(CNc4ccccc4)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8339 |
| logD: | 3.5481 |
| logSw: | -4.005 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.215 |
| InChI Key: | LRRKDEUWUHTDOQ-UHFFFAOYSA-N |