6-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
6-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
6-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | 8003-6368 |
| Compound Name: | 6-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile |
| Molecular Weight: | 259.28 |
| Molecular Formula: | C12 H9 N3 O2 S |
| Smiles: | COc1ccc(cc1)C1=C(C#N)C(NC(N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7185 |
| logD: | -2.1958 |
| logSw: | -2.3387 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.585 |
| InChI Key: | PXEWDUZAXRERFW-UHFFFAOYSA-N |