2-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenoxy)-6-(trifluoromethyl)pyrimidine
Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenoxy)-6-(trifluoromethyl)pyrimidine
2-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenoxy)-6-(trifluoromethyl)pyrimidine
Compound characteristics
| Compound ID: | V015-4571 |
| Compound Name: | 2-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenoxy)-6-(trifluoromethyl)pyrimidine |
| Molecular Weight: | 421.4 |
| Molecular Formula: | C19 H14 F3 N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(CSc2nc(cc(n2)Oc2ccc(cc2)[N+]([O-])=O)C(F)(F)F)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.1189 |
| logD: | 6.1189 |
| logSw: | -5.6316 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.29 |
| InChI Key: | IXENQWLLWAUYNK-UHFFFAOYSA-N |