methyl 4-{2-[3-benzyl-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[3-benzyl-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
methyl 4-{2-[3-benzyl-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | 2739-0337 |
| Compound Name: | methyl 4-{2-[3-benzyl-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate |
| Molecular Weight: | 507.99 |
| Molecular Formula: | C26 H22 Cl N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CC1C(N(C(N1Cc1ccccc1)=S)c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2783 |
| logD: | 4.2779 |
| logSw: | -4.5139 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.571 |
| InChI Key: | XBQITILJHRCRCR-JOCHJYFZSA-N |