methyl 4-[(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate
methyl 4-[(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 5371-3637 |
| Compound Name: | methyl 4-[(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate |
| Molecular Weight: | 276.31 |
| Molecular Formula: | C13 H12 N2 O3 S |
| Smiles: | CN1C(/C(=C/c2ccc(cc2)C(=O)OC)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9919 |
| logD: | 1.9832 |
| logSw: | -2.4738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.719 |
| InChI Key: | OIJMOFUIMBXZIR-UHFFFAOYSA-N |