1-(4-fluorophenyl)-4-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-4-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
1-(4-fluorophenyl)-4-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
Compound characteristics
| Compound ID: | D036-1715 |
| Compound Name: | 1-(4-fluorophenyl)-4-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C27 H23 F N4 O S |
| Smiles: | C(CC(c1ccc(cc1)F)=O)CSc1nc2c(c3ccccc3n2CCc2ccccc2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.7025 |
| logD: | 5.7025 |
| logSw: | -6.1008 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.932 |
| InChI Key: | HJQRESOUZNOTFS-UHFFFAOYSA-N |