6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
Compound ID: | K784-6147 |
Compound Name: | 6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine |
Molecular Weight: | 433.53 |
Molecular Formula: | C23 H23 N5 O2 S |
Smiles: | Cc1ccc(C)c(Cc2c(C)nc3nc(nn3c2C)SCc2ccc(cc2)[N+]([O-])=O)c1 |
Stereo: | ACHIRAL |
logP: | 5.4668 |
logD: | 5.4666 |
logSw: | -5.4296 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 62.936 |
InChI Key: | IWOWKBGDSDNDOC-UHFFFAOYSA-N |