2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0953 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 548.13 |
| Molecular Formula: | C28 H26 Cl N5 O S2 |
| Smiles: | CC1=C(C(c2ccc(cc2)SC)n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5939 |
| logD: | 6.5934 |
| logSw: | -6.4112 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.893 |
| InChI Key: | GZRANMHLVXEQCQ-VWLOTQADSA-N |