1-(4-{[5-methyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{[5-methyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one
1-(4-{[5-methyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | D245-0103 |
| Compound Name: | 1-(4-{[5-methyl-2-(4-methylphenyl)[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(c3ccc(C)cc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.101 |
| logD: | 4.0864 |
| logSw: | -4.1169 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.667 |
| InChI Key: | VVPNGESSPRVJRX-UHFFFAOYSA-N |