1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-2-(thiophen-2-yl)ethan-1-one
1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | G811-0560 |
| Compound Name: | 1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 418.58 |
| Molecular Formula: | C24 H22 N2 O S2 |
| Smiles: | CSc1ccc(cc1)C1c2c(CCN1C(Cc1cccs1)=O)c1ccccc1[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4297 |
| logD: | 5.4297 |
| logSw: | -5.7151 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.5625 |
| InChI Key: | LUHRDKHWWHUJFM-XMMPIXPASA-N |