7-[4-(diethylamino)phenyl]-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-(diethylamino)phenyl]-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-(diethylamino)phenyl]-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: | C118-0438 |
| Compound Name: | 7-[4-(diethylamino)phenyl]-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: | 543.67 |
| Molecular Formula: | C29 H30 F N7 O S |
| Smiles: | CCN(CC)c1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1ccccc1F)C(Nc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.585 |
| logD: | 5.2959 |
| logSw: | -5.1421 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.845 |
| InChI Key: | IXEYLLIRZGKXJK-SANMLTNESA-N |