2-(benzylamino)-5-[(3-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(benzylamino)-5-[(3-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(benzylamino)-5-[(3-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0041 |
| Compound Name: | 2-(benzylamino)-5-[(3-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 376.42 |
| Molecular Formula: | C20 H20 N6 O2 |
| Smiles: | COc1cccc(c1)NCC1=CC(n2c(N1)nc(NCc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6264 |
| logD: | 2.3405 |
| logSw: | -3.2123 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.759 |
| InChI Key: | GXXAQETWPKJXNG-UHFFFAOYSA-N |