1-[1-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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: | 3993-2925 |
| Compound Name: | 1-[1-(4-chlorophenyl)-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: | 460.98 |
| Molecular Formula: | C25 H21 Cl N4 O S |
| Smiles: | Cc1cc2nnc(n2c2ccccc12)SCC(c1cc(C)n(c2ccc(cc2)[Cl])c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7413 |
| logD: | 5.7413 |
| logSw: | -5.9282 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.994 |
| InChI Key: | LZUGBTZAAUIREO-UHFFFAOYSA-N |