ethyl 4-{[2-(3-cyanoanilino)-2-oxoethyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(3-cyanoanilino)-2-oxoethyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-{[2-(3-cyanoanilino)-2-oxoethyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G070-1633 |
| Compound Name: | ethyl 4-{[2-(3-cyanoanilino)-2-oxoethyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C18 H20 N4 O5 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(NCC(Nc1cccc(C#N)c1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6996 |
| logD: | 1.6977 |
| logSw: | -2.6375 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.744 |
| InChI Key: | LJEOMCQQNKSJCN-UHFFFAOYSA-N |