N-butyl-2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-ethylacetamide
Chemical Structure Depiction of
N-butyl-2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-ethylacetamide
N-butyl-2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-ethylacetamide
Compound characteristics
| Compound ID: | C121-0672 |
| Compound Name: | N-butyl-2-({6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-ethylacetamide |
| Molecular Weight: | 464 |
| Molecular Formula: | C22 H27 Cl F N5 O S |
| Smiles: | CCCCN(CC)C(CSc1nc2nc(C)c(Cc3ccc(cc3[Cl])F)c(C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1175 |
| logD: | 5.1172 |
| logSw: | -5.5618 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.485 |
| InChI Key: | HLZJWCNSVUXCCX-UHFFFAOYSA-N |