2-{[(4-ethylphenyl)methyl]amino}-5-[(4-methylpiperazin-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-methylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-ethylphenyl)methyl]amino}-5-[(4-methylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0460 |
| Compound Name: | 2-{[(4-ethylphenyl)methyl]amino}-5-[(4-methylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C20 H27 N7 O |
| Smiles: | CCc1ccc(CNc2nc3NC(CN4CCN(C)CC4)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.5429 |
| logD: | 1.5429 |
| logSw: | -2.3047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.19 |
| InChI Key: | VEQVSVSZRVVVQB-UHFFFAOYSA-N |