methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | 4514-1183 |
| Compound Name: | methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 577.66 |
| Molecular Formula: | C30 H31 N3 O7 S |
| Smiles: | COC(c1ccc(cc1)NC(CC1C(N(C(N1CCc1ccc(c(c1)OC)OC)=S)c1ccc(cc1)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6072 |
| logD: | 3.6068 |
| logSw: | -3.9985 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.354 |
| InChI Key: | MHGSFZMKMUDCMV-XMMPIXPASA-N |