4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3-methoxybenzoate
Chemical Structure Depiction of
4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3-methoxybenzoate
4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | D494-0736 |
| Compound Name: | 4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3-methoxybenzoate |
| Molecular Weight: | 452.47 |
| Molecular Formula: | C25 H20 N6 O3 |
| Smiles: | Cc1cc(Nc2ccc(cc2)OC(c2cccc(c2)OC)=O)n2c(n1)nc(c1cccnc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.6964 |
| logD: | 3.5536 |
| logSw: | -3.9125 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.28 |
| InChI Key: | MZSUQNNNELBIOP-UHFFFAOYSA-N |