1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}butan-1-one
Chemical Structure Depiction of
1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}butan-1-one
1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}butan-1-one
Compound characteristics
| Compound ID: | G811-0581 |
| Compound Name: | 1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}butan-1-one |
| Molecular Weight: | 364.51 |
| Molecular Formula: | C22 H24 N2 O S |
| Smiles: | CCCC(N1CCc2c3ccccc3[nH]c2C1c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4355 |
| logD: | 5.4355 |
| logSw: | -5.6889 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.8157 |
| InChI Key: | UCEKPTHJJRSIPF-JOCHJYFZSA-N |