2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K784-5902 |
| Compound Name: | 2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 544.05 |
| Molecular Formula: | C26 H27 Cl F N5 O3 S |
| Smiles: | Cc1c(Cc2ccc(cc2[Cl])F)c(C)n2c(n1)nc(n2)SCC(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9493 |
| logD: | 3.9493 |
| logSw: | -4.3407 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.129 |
| InChI Key: | QGGCXSRLZMRFJZ-UHFFFAOYSA-N |