6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K784-5903 |
| Compound Name: | 6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C21 H17 Cl F N5 O2 S |
| Smiles: | Cc1c(Cc2ccc(cc2[Cl])F)c(C)n2c(n1)nc(n2)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2264 |
| logD: | 5.2263 |
| logSw: | -5.7403 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.936 |
| InChI Key: | JJIYNMGMZPVEDS-UHFFFAOYSA-N |