2-{[(4-ethylphenyl)methyl]amino}-5-[(4-phenylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-ethylphenyl)methyl]amino}-5-[(4-phenylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-ethylphenyl)methyl]amino}-5-[(4-phenylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0465 |
| Compound Name: | 2-{[(4-ethylphenyl)methyl]amino}-5-[(4-phenylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C25 H29 N7 O |
| Smiles: | CCc1ccc(CNc2nc3NC(CN4CCN(CC4)c4ccccc4)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3601 |
| logD: | 2.9944 |
| logSw: | -3.4841 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.974 |
| InChI Key: | NHVUVQHYMDNWCQ-UHFFFAOYSA-N |