N-(4-chlorophenyl)-7-(2-fluorophenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-7-(2-fluorophenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-chlorophenyl)-7-(2-fluorophenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0246 |
| Compound Name: | N-(4-chlorophenyl)-7-(2-fluorophenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 429.9 |
| Molecular Formula: | C20 H17 Cl F N5 O S |
| Smiles: | CC1=C(C(c2ccccc2F)n2c(N1)nc(n2)SC)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8618 |
| logD: | 4.8612 |
| logSw: | -4.955 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.862 |
| InChI Key: | AKVVUAKWQBHJOH-KRWDZBQOSA-N |