methyl 4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]sulfamoyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]sulfamoyl}-1H-pyrrole-2-carboxylate
methyl 4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]sulfamoyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G070-1310 |
| Compound Name: | methyl 4-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]sulfamoyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Smiles: | COC(c1cc(c[nH]1)S(NCCCN1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3003 |
| logD: | 1.5174 |
| logSw: | -2.9156 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.812 |
| InChI Key: | BVYOGIIUUKAZRK-UHFFFAOYSA-N |