ethyl 5-({(benzenesulfonyl)[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-({(benzenesulfonyl)[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-({(benzenesulfonyl)[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | F348-0463 |
Compound Name: | ethyl 5-({(benzenesulfonyl)[(2H-1,3-benzodioxol-5-yl)methyl]amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
Molecular Weight: | 470.54 |
Molecular Formula: | C24 H26 N2 O6 S |
Smiles: | CCOC(c1c(C)c(CN(Cc2ccc3c(c2)OCO3)S(c2ccccc2)(=O)=O)[nH]c1C)=O |
Stereo: | ACHIRAL |
logP: | 4.0343 |
logD: | 4.0343 |
logSw: | -4.0901 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.688 |
InChI Key: | LFNNLHVJFLPRSI-UHFFFAOYSA-N |