N-[3-(methylsulfanyl)phenyl]-3-phenylpyrrolidine-1-carbothioamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-3-phenylpyrrolidine-1-carbothioamide
N-[3-(methylsulfanyl)phenyl]-3-phenylpyrrolidine-1-carbothioamide
Compound characteristics
| Compound ID: | K788-0629 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-3-phenylpyrrolidine-1-carbothioamide |
| Molecular Weight: | 328.5 |
| Molecular Formula: | C18 H20 N2 S2 |
| Smiles: | CSc1cccc(c1)NC(N1CCC(C1)c1ccccc1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9522 |
| logD: | 4.9522 |
| logSw: | -4.5837 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 11.1646 |
| InChI Key: | ADBVHZZHQWFIHF-OAHLLOKOSA-N |