2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(pyridin-3-yl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(pyridin-3-yl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(pyridin-3-yl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0443 |
| Compound Name: | 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(pyridin-3-yl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 562.62 |
| Molecular Formula: | C28 H27 F N6 O4 S |
| Smiles: | CC1=C(C(c2cc(c(c(c2)OC)OC)OC)n2c(N1)nc(n2)SCc1ccccc1F)C(Nc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5044 |
| logD: | 4.5038 |
| logSw: | -4.1533 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.086 |
| InChI Key: | AYYOUGYTAKZAOZ-DEOSSOPVSA-N |