2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-(thiophen-2-yl)-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-(2-methylphenyl)-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0446 |
| Compound Name: | 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C25 H22 F N5 O S2 |
| Smiles: | CC1=C(C(c2cccs2)n2c(N1)nc(n2)SCc1ccccc1F)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4683 |
| logD: | 5.4676 |
| logSw: | -5.3913 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.911 |
| InChI Key: | KILOHHZNUMANKX-QFIPXVFZSA-N |