6-benzyl-2-[(4-ethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-2-[(4-ethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-2-[(4-ethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1464 |
| Compound Name: | 6-benzyl-2-[(4-ethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 373.46 |
| Molecular Formula: | C22 H23 N5 O |
| Smiles: | CCc1ccc(cc1)NCc1nc2NC(C)=C(Cc3ccccc3)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2853 |
| logD: | 3.165 |
| logSw: | -4.2537 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.477 |
| InChI Key: | WDRPMVSGSKVLFJ-UHFFFAOYSA-N |