methyl 4-({2-[4-(methylsulfanyl)phenyl]ethyl}sulfamoyl)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-({2-[4-(methylsulfanyl)phenyl]ethyl}sulfamoyl)-1H-pyrrole-2-carboxylate
methyl 4-({2-[4-(methylsulfanyl)phenyl]ethyl}sulfamoyl)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G070-1335 |
| Compound Name: | methyl 4-({2-[4-(methylsulfanyl)phenyl]ethyl}sulfamoyl)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 354.44 |
| Molecular Formula: | C15 H18 N2 O4 S2 |
| Smiles: | COC(c1cc(c[nH]1)S(NCCc1ccc(cc1)SC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7858 |
| logD: | 2.7858 |
| logSw: | -3.4864 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.168 |
| InChI Key: | QRYFRYVQOLFXAI-UHFFFAOYSA-N |