ethyl 2,4-dimethyl-5-[(phenylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2,4-dimethyl-5-[(phenylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate
ethyl 2,4-dimethyl-5-[(phenylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4112-3877 |
| Compound Name: | ethyl 2,4-dimethyl-5-[(phenylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 317.4 |
| Molecular Formula: | C17 H19 N O3 S |
| Smiles: | CCOC(c1c(C)c(C(CSc2ccccc2)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.548 |
| logD: | 3.548 |
| logSw: | -3.7503 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.949 |
| InChI Key: | UFNQKKXCYHZGQD-UHFFFAOYSA-N |