2-(2,3-diethoxyphenyl)-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-(2,3-diethoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}ethan-1-one
2-(2,3-diethoxyphenyl)-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: | C700-2069 |
| Compound Name: | 2-(2,3-diethoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}ethan-1-one |
| Molecular Weight: | 500.66 |
| Molecular Formula: | C30 H32 N2 O3 S |
| Smiles: | CCOc1cccc(CC(N2CCc3c4ccccc4[nH]c3C2c2ccc(cc2)SC)=O)c1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.887 |
| logD: | 6.887 |
| logSw: | -6.1071 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.051 |
| InChI Key: | WVMYASHEBFVNCR-GDLZYMKVSA-N |