2-[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Chemical Structure Depiction of
2-[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
2-[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5521 |
| Compound Name: | 2-[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CCn1c(COc2ccc(C)cc2)nnc1SCC1=CC(c2ccccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0141 |
| logD: | 4.0094 |
| logSw: | -4.1259 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.236 |
| InChI Key: | AYSBETQGQXDYKJ-UHFFFAOYSA-N |