2-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(4-nitrophenoxy)-6-(trifluoromethyl)pyrimidine
Chemical Structure Depiction of
2-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(4-nitrophenoxy)-6-(trifluoromethyl)pyrimidine
2-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(4-nitrophenoxy)-6-(trifluoromethyl)pyrimidine
Compound characteristics
| Compound ID: | V011-6404 |
| Compound Name: | 2-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(4-nitrophenoxy)-6-(trifluoromethyl)pyrimidine |
| Molecular Weight: | 443.35 |
| Molecular Formula: | C18 H10 F5 N3 O3 S |
| Salt: | not_available |
| Smiles: | C(c1ccc(c(c1)F)F)Sc1nc(cc(n1)Oc1ccc(cc1)[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.6977 |
| logD: | 5.6977 |
| logSw: | -5.9314 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.29 |
| InChI Key: | SJOCUJZAMIJKEW-UHFFFAOYSA-N |