2-{[(4-chlorophenyl)methyl]amino}-5-[(2,6-dimethylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-5-[(2,6-dimethylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-5-[(2,6-dimethylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0085 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-5-[(2,6-dimethylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 408.89 |
| Molecular Formula: | C21 H21 Cl N6 O |
| Smiles: | Cc1cccc(C)c1NCC1=CC(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5702 |
| logD: | 3.2843 |
| logSw: | -3.901 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.82 |
| InChI Key: | HXNLPLNCULRDCW-UHFFFAOYSA-N |