3-{[3-methyl-1-(2-methyl-4-nitrophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzonitrile
Chemical Structure Depiction of
3-{[3-methyl-1-(2-methyl-4-nitrophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzonitrile
3-{[3-methyl-1-(2-methyl-4-nitrophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzonitrile
Compound characteristics
| Compound ID: | V013-6733 |
| Compound Name: | 3-{[3-methyl-1-(2-methyl-4-nitrophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzonitrile |
| Molecular Weight: | 378.41 |
| Molecular Formula: | C19 H14 N4 O3 S |
| Smiles: | Cc1cc(ccc1N1C(/C(=C\c2cccc(C#N)c2)N(C)C1=S)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3769 |
| logD: | 3.3769 |
| logSw: | -3.7878 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.438 |
| InChI Key: | DYCWKDHHMKNXAO-UHFFFAOYSA-N |