4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 4-methylbenzoate
Chemical Structure Depiction of
4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 4-methylbenzoate
4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | D494-0731 |
| Compound Name: | 4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 4-methylbenzoate |
| Molecular Weight: | 436.47 |
| Molecular Formula: | C25 H20 N6 O2 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccc(cc1)Nc1cc(C)nc2nc(c3cccnc3)nn12 |
| Stereo: | ACHIRAL |
| logP: | 4.1778 |
| logD: | 4.0351 |
| logSw: | -4.1171 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.736 |
| InChI Key: | MHJQNILMOHCTFI-UHFFFAOYSA-N |