2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-propylacetamide
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-propylacetamide
2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-propylacetamide
Compound characteristics
| Compound ID: | C179-0806 |
| Compound Name: | 2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-propylacetamide |
| Molecular Weight: | 421.92 |
| Molecular Formula: | C19 H21 Cl F N5 O S |
| Smiles: | CCCNC(CSc1nc2nc(C)c(Cc3c(cccc3[Cl])F)c(C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4436 |
| logD: | 3.4435 |
| logSw: | -3.7878 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.139 |
| InChI Key: | IYJFOCVBDWBCTB-UHFFFAOYSA-N |