2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0230 |
| Compound Name: | 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C28 H26 F N5 O S |
| Smiles: | CC1=C(C(c2ccc(cc2)F)n2c(N1)nc(n2)SCc1ccc(C)cc1C)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4904 |
| logD: | 6.4899 |
| logSw: | -5.574 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.591 |
| InChI Key: | OOAWYOXQRKOPMJ-VWLOTQADSA-N |