2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide
2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K786-0311 |
| Compound Name: | 2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 502.03 |
| Molecular Formula: | C23 H21 Cl F N5 O S2 |
| Smiles: | Cc1c(Cc2c(cccc2[Cl])F)c(C)n2c(n1)nc(n2)SCC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1562 |
| logD: | 5.1562 |
| logSw: | -5.5787 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.704 |
| InChI Key: | TYUPGBNWBJXRLU-UHFFFAOYSA-N |