methyl 4-(2-{1-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{1-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
methyl 4-(2-{1-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | 4514-1187 |
| Compound Name: | methyl 4-(2-{1-(3-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 582.08 |
| Molecular Formula: | C29 H28 Cl N3 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(CC1C(N(C(N1CCc1ccc(c(c1)OC)OC)=S)c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2643 |
| logD: | 4.2639 |
| logSw: | -4.5054 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.81 |
| InChI Key: | HFQOHYFDOVEAJH-HSZRJFAPSA-N |