6-ethyl-2-[({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Chemical Structure Depiction of
6-ethyl-2-[({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
6-ethyl-2-[({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-6021 |
| Compound Name: | 6-ethyl-2-[({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C24 H26 N4 O2 S |
| Smiles: | CCc1ccc2c(c1)C(C=C(CSc1nnc(COc3cccc(C)c3)n1CC)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2381 |
| logD: | 5.232 |
| logSw: | -4.9879 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.236 |
| InChI Key: | XEADSRDASWVVDI-UHFFFAOYSA-N |