2-{[(4-fluorophenyl)methyl]sulfanyl}-1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}ethan-1-one
Chemical Structure Depiction of
2-{[(4-fluorophenyl)methyl]sulfanyl}-1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}ethan-1-one
2-{[(4-fluorophenyl)methyl]sulfanyl}-1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}ethan-1-one
Compound characteristics
| Compound ID: | G811-0607 |
| Compound Name: | 2-{[(4-fluorophenyl)methyl]sulfanyl}-1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}ethan-1-one |
| Molecular Weight: | 476.63 |
| Molecular Formula: | C27 H25 F N2 O S2 |
| Smiles: | CSc1ccc(cc1)C1c2c(CCN1C(CSCc1ccc(cc1)F)=O)c1ccccc1[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3873 |
| logD: | 6.3873 |
| logSw: | -5.8616 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.5442 |
| InChI Key: | XIODTQXBJNXIQQ-HHHXNRCGSA-N |