2-{[(4-fluorophenyl)methyl]sulfanyl}-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-{[(4-fluorophenyl)methyl]sulfanyl}-1-[1-(pyridin-3-yl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]ethan-1-one
2-{[(4-fluorophenyl)methyl]sulfanyl}-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: | G811-0867 |
| Compound Name: | 2-{[(4-fluorophenyl)methyl]sulfanyl}-1-[1-(pyridin-3-yl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]ethan-1-one |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C25 H22 F N3 O S |
| Smiles: | C1CN(C(c2cccnc2)c2c1c1ccccc1[nH]2)C(CSCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5043 |
| logD: | 4.5004 |
| logSw: | -4.2312 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.062 |
| InChI Key: | KVMWZIUYNSHCSF-RUZDIDTESA-N |