7-(4-ethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-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-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-ethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0432 |
| Compound Name: | 7-(4-ethoxyphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C22 H22 F N5 O2 S |
| Smiles: | [H]N([H])C(C1C(c2ccc(cc2)OCC)n2c(NC=1C)nc(n2)SCc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0135 |
| logD: | 4.0119 |
| logSw: | -4.1108 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.682 |
| InChI Key: | CMINDLNKZMHIOO-IBGZPJMESA-N |