1-{4-[(2-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[(2-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl}ethan-1-one
1-{4-[(2-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | D245-0548 |
| Compound Name: | 1-{4-[(2-benzyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl}ethan-1-one |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C21 H19 N5 O |
| Smiles: | CC(c1ccc(cc1)Nc1cc(C)nc2nc(Cc3ccccc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4231 |
| logD: | 3.4192 |
| logSw: | -3.6614 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.658 |
| InChI Key: | IWTKJSDWHLLWMR-UHFFFAOYSA-N |