4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0390 |
| Compound Name: | 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C21 H18 N4 O2 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(NCc2ccc3c(c2)OCO3)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.6392 |
| logD: | 4.6392 |
| logSw: | -4.5849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.077 |
| InChI Key: | GCQWVLIIMNMWGY-UHFFFAOYSA-N |