methyl 4-[(1-cyclohexyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(1-cyclohexyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate
methyl 4-[(1-cyclohexyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate
Compound characteristics
Compound ID: | 5789-0873 |
Compound Name: | methyl 4-[(1-cyclohexyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate |
Molecular Weight: | 344.43 |
Molecular Formula: | C18 H20 N2 O3 S |
Smiles: | COC(c1ccc(/C=C2/C(N(C3CCCCC3)C(N2)=S)=O)cc1)=O |
Stereo: | ACHIRAL |
logP: | 3.837 |
logD: | 3.836 |
logSw: | -3.9999 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.903 |
InChI Key: | FMBUMRGKLBTZES-UHFFFAOYSA-N |