4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine
4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine
Compound characteristics
| Compound ID: | V007-1994 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine |
| Molecular Weight: | 448.46 |
| Molecular Formula: | C22 H19 F3 N2 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1ccc(cc1)C(F)(F)F)Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.1212 |
| logD: | 6.1212 |
| logSw: | -5.6562 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.024 |
| InChI Key: | VHOHGWGCVAWJQG-UHFFFAOYSA-N |