({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetic acid
({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | K783-4333 |
| Compound Name: | ({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetic acid |
| Molecular Weight: | 380.83 |
| Molecular Formula: | C16 H14 Cl F N4 O2 S |
| Smiles: | Cc1c(Cc2c(cccc2[Cl])F)c(C)n2c(n1)nc(n2)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7847 |
| logD: | -0.5078 |
| logSw: | -3.064 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.21 |
| InChI Key: | SZLSSERAGMGYBN-UHFFFAOYSA-N |