4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine
4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine
Compound characteristics
| Compound ID: | V015-8280 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(propan-2-yl)pyrimidine |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C22 H22 N2 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1cccc(C)c1)Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.1726 |
| logD: | 6.1726 |
| logSw: | -5.6072 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.024 |
| InChI Key: | ZKWDTKCMMURGCK-UHFFFAOYSA-N |