2-[({4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
2-[({4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzonitrile
2-[({4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | V016-3258 |
| Compound Name: | 2-[({4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccccc1C#N)Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.6871 |
| logD: | 5.6871 |
| logSw: | -5.6169 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.08 |
| InChI Key: | QNCWOWFFLUFNPR-UHFFFAOYSA-N |