5-methyl-N-(2-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
5-methyl-N-(2-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
5-methyl-N-(2-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0814 |
| Compound Name: | 5-methyl-N-(2-methylphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C28 H27 N5 O S |
| Smiles: | CC1=C(C(c2ccccc2)n2c(N1)nc(n2)SCc1cccc(C)c1)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2084 |
| logD: | 6.2078 |
| logSw: | -5.4289 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.893 |
| InChI Key: | XCZKYLPDSGDOAU-VWLOTQADSA-N |