1-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
1-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 4112-3766 |
| Compound Name: | 1-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C25 H21 F N4 O S |
| Smiles: | Cc1cc2nnc(n2c2ccccc12)SCC(c1cc(C)n(c2cccc(c2)F)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1913 |
| logD: | 5.1913 |
| logSw: | -5.1546 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.994 |
| InChI Key: | GXTNQZAEWGHAOO-UHFFFAOYSA-N |