methyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
methyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | 4514-1192 |
| Compound Name: | methyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C22 H21 N3 O6 S |
| Smiles: | CN1C(C(CC(Nc2ccc(cc2)C(=O)OC)=O)N(Cc2ccc3c(c2)OCO3)C1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1457 |
| logD: | 2.1454 |
| logSw: | -3.0611 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.335 |
| InChI Key: | GYPUBUVQSFOMFE-MRXNPFEDSA-N |