methyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
methyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G070-1317 |
| Compound Name: | methyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 363.43 |
| Molecular Formula: | C17 H21 N3 O4 S |
| Smiles: | COC(c1cc(c[nH]1)S(NCCN1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2218 |
| logD: | 2.1542 |
| logSw: | -2.8681 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.812 |
| InChI Key: | MEYUZXZTGOVRSU-UHFFFAOYSA-N |