3-(4-methylbenzoyl)-2-(4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)-1-benzofuran-5,6-dicarbonitrile
Chemical Structure Depiction of
3-(4-methylbenzoyl)-2-(4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)-1-benzofuran-5,6-dicarbonitrile
3-(4-methylbenzoyl)-2-(4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)-1-benzofuran-5,6-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-4107 |
| Compound Name: | 3-(4-methylbenzoyl)-2-(4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)-1-benzofuran-5,6-dicarbonitrile |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C28 H18 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C(c1c2cc(C#N)c(C#N)cc2oc1C1=CNC(NC1c1ccccc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4179 |
| logD: | 5.4179 |
| logSw: | -5.5936 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.745 |
| InChI Key: | HTVZIYFBGRLDKG-RUZDIDTESA-N |