4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-ethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-ethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine
4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-ethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine
Compound characteristics
| Compound ID: | V023-2408 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-ethyl-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C21 H20 N2 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(C)c1)Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.7094 |
| logD: | 5.7094 |
| logSw: | -5.5132 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.519 |
| InChI Key: | IXYZVPYGDNHSRX-UHFFFAOYSA-N |