4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3,4-dimethoxybenzoate
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-dimethoxybenzoate
4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | D494-0735 |
| Compound Name: | 4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3,4-dimethoxybenzoate |
| Molecular Weight: | 482.5 |
| Molecular Formula: | C26 H22 N6 O4 |
| Smiles: | Cc1cc(Nc2ccc(cc2)OC(c2ccc(c(c2)OC)OC)=O)n2c(n1)nc(c1cccnc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.2584 |
| logD: | 3.1157 |
| logSw: | -3.4566 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.997 |
| InChI Key: | DUQJIOGFCDHJSO-UHFFFAOYSA-N |