4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3-(dimethylamino)benzoate
Chemical Structure Depiction of
4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3-(dimethylamino)benzoate
4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3-(dimethylamino)benzoate
Compound characteristics
| Compound ID: | D494-0757 |
| Compound Name: | 4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl 3-(dimethylamino)benzoate |
| Molecular Weight: | 465.51 |
| Molecular Formula: | C26 H23 N7 O2 |
| Smiles: | Cc1cc(Nc2ccc(cc2)OC(c2cccc(c2)N(C)C)=O)n2c(n1)nc(c1cccnc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.9518 |
| logD: | 3.809 |
| logSw: | -3.8549 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.541 |
| InChI Key: | BXIPLAVGYUVCFV-UHFFFAOYSA-N |