7-(4-ethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(4-ethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-ethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0431 |
| Compound Name: | 7-(4-ethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 516.6 |
| Molecular Formula: | C27 H25 F N6 O2 S |
| Smiles: | CCOc1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1ccccc1F)C(Nc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1435 |
| logD: | 5.1429 |
| logSw: | -4.6221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.232 |
| InChI Key: | UHHVJUYFZSZDCO-DEOSSOPVSA-N |