2-(ethylsulfanyl)ethyl 7-(3,5-difluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 7-(3,5-difluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
2-(ethylsulfanyl)ethyl 7-(3,5-difluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y505-5064 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(3,5-difluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 380.41 |
| Molecular Formula: | C17 H18 F2 N4 O2 S |
| Smiles: | CCSCCOC(C1C(c2cc(cc(c2)F)F)n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1777 |
| logD: | 2.8893 |
| logSw: | -3.2587 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.038 |
| InChI Key: | HRBARQAHZNDYDX-HNNXBMFYSA-N |