ethyl 4-{3-[(3-cyanophenyl)carbamoyl]piperidine-1-sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[(3-cyanophenyl)carbamoyl]piperidine-1-sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-{3-[(3-cyanophenyl)carbamoyl]piperidine-1-sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G070-2221 |
| Compound Name: | ethyl 4-{3-[(3-cyanophenyl)carbamoyl]piperidine-1-sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C22 H26 N4 O5 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(N1CCCC(C1)C(Nc1cccc(C#N)c1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0585 |
| logD: | 2.056 |
| logSw: | -2.828 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.572 |
| InChI Key: | UEBNRXGWNWJSLV-KRWDZBQOSA-N |