methyl 3-{[5-propyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[5-propyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzoate
methyl 3-{[5-propyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzoate
Compound characteristics
| Compound ID: | D515-0871 |
| Compound Name: | methyl 3-{[5-propyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzoate |
| Molecular Weight: | 388.43 |
| Molecular Formula: | C21 H20 N6 O2 |
| Smiles: | [H]C([H])([H])C([H])([H])C([H])([H])c1cc(Nc2cccc(c2)C(=O)OC)n2c(n1)nc(c1cccnc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.186 |
| logD: | 4.0433 |
| logSw: | -4.0779 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.221 |
| InChI Key: | DDIYXACDPIOTFD-UHFFFAOYSA-N |