{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}(3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}(3,4,5-trimethoxyphenyl)methanone
{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | G811-0545 |
| Compound Name: | {1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C28 H28 N2 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCc2c3ccccc3[nH]c2C1c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.511 |
| logD: | 5.511 |
| logSw: | -5.798 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.049 |
| InChI Key: | MKVASLPMEMKBTB-AREMUKBSSA-N |