4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3-methylbutanoate
Chemical Structure Depiction of
4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3-methylbutanoate
4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3-methylbutanoate
Compound characteristics
| Compound ID: | D494-0747 |
| Compound Name: | 4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3-methylbutanoate |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C22 H22 N6 O2 |
| Smiles: | CC(C)CC(=O)Oc1ccc(cc1)Nc1cc(C)nc2nc(c3cccnc3)nn12 |
| Stereo: | ACHIRAL |
| logP: | 3.6431 |
| logD: | 3.5003 |
| logSw: | -3.7764 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.412 |
| InChI Key: | SZCSMXWBWSMMHQ-UHFFFAOYSA-N |