4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3,4-dimethylbenzoate
Chemical Structure Depiction of
4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3,4-dimethylbenzoate
4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3,4-dimethylbenzoate
Compound characteristics
| Compound ID: | D494-0754 |
| Compound Name: | 4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3,4-dimethylbenzoate |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C26 H22 N6 O2 |
| Smiles: | Cc1ccc(cc1C)C(=O)Oc1ccc(cc1)Nc1cc(C)nc2nc(c3cccnc3)nn12 |
| Stereo: | ACHIRAL |
| logP: | 4.6201 |
| logD: | 4.4773 |
| logSw: | -4.2041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.736 |
| InChI Key: | YVVHHDUMDUTTKK-UHFFFAOYSA-N |