3-(4-methoxyphenyl)-4a-phenyl-1-sulfanylidene-1,2,4a,5-tetrahydropyrimido[1,6-a]benzimidazole-7,8-dicarbonitrile
Chemical Structure Depiction of
3-(4-methoxyphenyl)-4a-phenyl-1-sulfanylidene-1,2,4a,5-tetrahydropyrimido[1,6-a]benzimidazole-7,8-dicarbonitrile
3-(4-methoxyphenyl)-4a-phenyl-1-sulfanylidene-1,2,4a,5-tetrahydropyrimido[1,6-a]benzimidazole-7,8-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-6478 |
| Compound Name: | 3-(4-methoxyphenyl)-4a-phenyl-1-sulfanylidene-1,2,4a,5-tetrahydropyrimido[1,6-a]benzimidazole-7,8-dicarbonitrile |
| Molecular Weight: | 435.51 |
| Molecular Formula: | C25 H17 N5 O S |
| Smiles: | COc1ccc(cc1)C1=CC2(c3ccccc3)Nc3cc(C#N)c(C#N)cc3N2C(N1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1452 |
| logD: | 5.1313 |
| logSw: | -5.0825 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.221 |
| InChI Key: | MXJBEYXPLOJJMA-VWLOTQADSA-N |