4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0447 |
| Compound Name: | 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile |
| Molecular Weight: | 376.44 |
| Molecular Formula: | C20 H16 N4 O2 S |
| Smiles: | CSc1nc(c2ccccc2)c(C#N)c(NCc2ccc3c(c2)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1107 |
| logD: | 4.1107 |
| logSw: | -4.3965 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.077 |
| InChI Key: | DJOSQFMYMQFNTP-UHFFFAOYSA-N |