4-(4-nitrophenoxy)-6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine
Chemical Structure Depiction of
4-(4-nitrophenoxy)-6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine
4-(4-nitrophenoxy)-6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine
Compound characteristics
| Compound ID: | V006-0921 |
| Compound Name: | 4-(4-nitrophenoxy)-6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine |
| Molecular Weight: | 449.45 |
| Molecular Formula: | C21 H18 F3 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1ccc(cc1)C(F)(F)F)Oc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3971 |
| logD: | 6.3971 |
| logSw: | -5.7575 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.29 |
| InChI Key: | LOTISXFFLJTIKC-UHFFFAOYSA-N |