ethyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl](methyl)sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl](methyl)sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl](methyl)sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G070-0499 |
| Compound Name: | ethyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl](methyl)sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C21 H27 N3 O5 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(N(C)CC(N1CCc2ccccc2C1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0715 |
| logD: | 2.0715 |
| logSw: | -2.5666 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.399 |
| InChI Key: | YRXADVUYDUXDRZ-UHFFFAOYSA-N |