4-[3-ethyl-1-(methylcarbamoyl)pyrrolidin-3-yl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-[3-ethyl-1-(methylcarbamoyl)pyrrolidin-3-yl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide
4-[3-ethyl-1-(methylcarbamoyl)pyrrolidin-3-yl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | T833-1905 |
| Compound Name: | 4-[3-ethyl-1-(methylcarbamoyl)pyrrolidin-3-yl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 405.56 |
| Molecular Formula: | C20 H31 N5 O2 S |
| Smiles: | CCC1(CCN(C1)C(NC)=O)N1CCN(CC1)C(Nc1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8876 |
| logD: | 1.1596 |
| logSw: | -3.3608 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.069 |
| InChI Key: | ZWVGMKGCTNIBFR-FQEVSTJZSA-N |