1-[1-(3-ethoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[1-(3-ethoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one
1-[1-(3-ethoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G811-1256 |
| Compound Name: | 1-[1-(3-ethoxyphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C28 H27 F N2 O2 S |
| Smiles: | CCOc1cccc(c1)C1c2c(CCN1C(CSCc1ccc(cc1)F)=O)c1ccccc1[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0757 |
| logD: | 6.0757 |
| logSw: | -5.7742 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.668 |
| InChI Key: | IZJKAWZOZCXRAP-MUUNZHRXSA-N |