2-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-ethyl-6-(4-nitrophenoxy)pyrimidine
Chemical Structure Depiction of
2-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-ethyl-6-(4-nitrophenoxy)pyrimidine
2-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-ethyl-6-(4-nitrophenoxy)pyrimidine
Compound characteristics
| Compound ID: | V004-1331 |
| Compound Name: | 2-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-ethyl-6-(4-nitrophenoxy)pyrimidine |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C19 H15 F2 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(c(c1)F)F)Oc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5642 |
| logD: | 5.5642 |
| logSw: | -5.4561 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.785 |
| InChI Key: | LMSXYMIHVSPPSW-UHFFFAOYSA-N |