4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-ethylpyrimidine
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-ethylpyrimidine
4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-ethylpyrimidine
Compound characteristics
| Compound ID: | V006-0945 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-ethylpyrimidine |
| Molecular Weight: | 400.88 |
| Molecular Formula: | C20 H17 Cl N2 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccccc1[Cl])Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.7216 |
| logD: | 5.7216 |
| logSw: | -6.0268 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.519 |
| InChI Key: | RMNITVXXDPFFMZ-UHFFFAOYSA-N |