ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](4-ethylbenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](4-ethylbenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](4-ethylbenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0497 |
| Compound Name: | ethyl 4-({[(2H-1,3-benzodioxol-5-yl)methyl](4-ethylbenzene-1-sulfonyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C26 H30 N2 O6 S |
| Smiles: | CCc1ccc(cc1)S(N(Cc1ccc2c(c1)OCO2)Cc1c(C)c(C(=O)OCC)[nH]c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4707 |
| logD: | 5.4707 |
| logSw: | -5.4294 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.193 |
| InChI Key: | OKXURGRJFFEDSA-UHFFFAOYSA-N |