N-butyl-2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-butyl-2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-butyl-2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C121-0587 |
| Compound Name: | N-butyl-2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 435.95 |
| Molecular Formula: | C20 H23 Cl F N5 O S |
| Smiles: | CCCCNC(CSc1nc2nc(C)c(Cc3c(cccc3[Cl])F)c(C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0303 |
| logD: | 4.0303 |
| logSw: | -4.2938 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.139 |
| InChI Key: | SIVYMMYXRCKVIZ-UHFFFAOYSA-N |