2-(4-methoxyphenyl)-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-methoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}ethan-1-one
2-(4-methoxyphenyl)-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: | G811-0534 |
| Compound Name: | 2-(4-methoxyphenyl)-1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}ethan-1-one |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C27 H26 N2 O2 S |
| Smiles: | COc1ccc(CC(N2CCc3c4ccccc4[nH]c3C2c2ccc(cc2)SC)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8608 |
| logD: | 5.8608 |
| logSw: | -5.8461 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.088 |
| InChI Key: | ASTBLZXUQURXOF-HHHXNRCGSA-N |