4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl thiophene-2-carboxylate
4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | D494-0746 |
| Compound Name: | 4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl thiophene-2-carboxylate |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C22 H16 N6 O2 S |
| Smiles: | Cc1cc(Nc2ccc(cc2)OC(c2cccs2)=O)n2c(n1)nc(c1cccnc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.7062 |
| logD: | 3.5634 |
| logSw: | -3.8114 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.754 |
| InChI Key: | XFSMIFDNMIRMDG-UHFFFAOYSA-N |