ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](1-methyl-1H-imidazole-4-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](1-methyl-1H-imidazole-4-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](1-methyl-1H-imidazole-4-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0483 |
| Compound Name: | ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](1-methyl-1H-imidazole-4-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C22 H26 N4 O6 S |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc3c(c2)OCO3)S(c2cn(C)cn2)(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6558 |
| logD: | 2.6558 |
| logSw: | -2.9624 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.604 |
| InChI Key: | WHNVTALPIPJEAZ-UHFFFAOYSA-N |