ethyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]sulfamoyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]sulfamoyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
ethyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]sulfamoyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G070-1123 |
| Compound Name: | ethyl 4-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]sulfamoyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | CCOC(c1c(c(C)n(C)c1C)S(NCCN1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3631 |
| logD: | 2.2954 |
| logSw: | -2.7656 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.015 |
| InChI Key: | UZIDOPFRRMEBRQ-UHFFFAOYSA-N |