4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-{[(4-tert-butylphenyl)methyl]sulfanyl}-6-methylpyrimidine
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-{[(4-tert-butylphenyl)methyl]sulfanyl}-6-methylpyrimidine
4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-{[(4-tert-butylphenyl)methyl]sulfanyl}-6-methylpyrimidine
Compound characteristics
| Compound ID: | V006-0882 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-{[(4-tert-butylphenyl)methyl]sulfanyl}-6-methylpyrimidine |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C23 H24 N2 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1ccc(cc1)C(C)(C)C)Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.9582 |
| logD: | 5.9582 |
| logSw: | -5.6307 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.83 |
| InChI Key: | UOYCUNHPPOZBMC-UHFFFAOYSA-N |