ethyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl](methyl)sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl](methyl)sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate
ethyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl](methyl)sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F065-4369 |
| Compound Name: | ethyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl](methyl)sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C20 H25 N3 O5 S |
| Smiles: | CCOC(c1cc(cn1C)S(N(C)CC(N1CCc2ccccc2C1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6334 |
| logD: | 1.6334 |
| logSw: | -2.5175 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.921 |
| InChI Key: | SHDZFFKPSQZDOZ-UHFFFAOYSA-N |