ethyl 5-({[(2H-1,3-benzodioxol-5-yl)methyl](2,5-dimethylbenzene-1-sulfonyl)amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-({[(2H-1,3-benzodioxol-5-yl)methyl](2,5-dimethylbenzene-1-sulfonyl)amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-({[(2H-1,3-benzodioxol-5-yl)methyl](2,5-dimethylbenzene-1-sulfonyl)amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F348-0473 |
| Compound Name: | ethyl 5-({[(2H-1,3-benzodioxol-5-yl)methyl](2,5-dimethylbenzene-1-sulfonyl)amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C26 H30 N2 O6 S |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc3c(c2)OCO3)S(c2cc(C)ccc2C)(=O)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9794 |
| logD: | 4.9794 |
| logSw: | -4.6796 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.688 |
| InChI Key: | NSCUQWHHUFVRRC-UHFFFAOYSA-N |