5,7-dimethyl-6-[(2-methylphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
5,7-dimethyl-6-[(2-methylphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
5,7-dimethyl-6-[(2-methylphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K784-5800 |
| Compound Name: | 5,7-dimethyl-6-[(2-methylphenyl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | Cc1ccccc1Cc1c(C)nc2nc(nn2c1C)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.029 |
| logD: | 5.0289 |
| logSw: | -4.8402 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.936 |
| InChI Key: | AVQSTJDBCRJOIK-UHFFFAOYSA-N |