2-(phenylsulfanyl)-1-[1-(pyridin-3-yl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]ethan-1-one
Chemical Structure Depiction of
2-(phenylsulfanyl)-1-[1-(pyridin-3-yl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]ethan-1-one
2-(phenylsulfanyl)-1-[1-(pyridin-3-yl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]ethan-1-one
Compound characteristics
Compound ID: | G811-0823 |
Compound Name: | 2-(phenylsulfanyl)-1-[1-(pyridin-3-yl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]ethan-1-one |
Molecular Weight: | 399.51 |
Molecular Formula: | C24 H21 N3 O S |
Smiles: | C1CN(C(c2cccnc2)c2c1c1ccccc1[nH]2)C(CSc1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.241 |
logD: | 4.2372 |
logSw: | -4.2248 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 35.062 |
InChI Key: | BGUUSRJQMVBXRD-XMMPIXPASA-N |