3-cyclohexyl-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
Chemical Structure Depiction of
3-cyclohexyl-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
3-cyclohexyl-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
Compound characteristics
| Compound ID: | 5791-4386 |
| Compound Name: | 3-cyclohexyl-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | Cc1cc(/C=C2/C(N(C3CCCCC3)C(N2)=S)=O)c(C)n1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5432 |
| logD: | 4.5429 |
| logSw: | -4.3311 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.776 |
| InChI Key: | DGVYGUBMBQVGHW-UHFFFAOYSA-N |