5-[(4-ethylanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-ethylanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-ethylanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0224 |
| Compound Name: | 5-[(4-ethylanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C22 H24 N6 O2 |
| Smiles: | CCc1ccc(cc1)NCC1=CC(n2c(N1)nc(NCc1ccc(cc1)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6005 |
| logD: | 3.3146 |
| logSw: | -3.6376 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.759 |
| InChI Key: | APUXVONVUSOTKM-UHFFFAOYSA-N |