6-ethyl-2-[({4-methyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Chemical Structure Depiction of
6-ethyl-2-[({4-methyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
6-ethyl-2-[({4-methyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-6022 |
| Compound Name: | 6-ethyl-2-[({4-methyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CCc1ccc2c(c1)C(C=C(CSc1nnc(COc3ccc(C)cc3)n1C)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5557 |
| logD: | 4.5496 |
| logSw: | -4.3897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.321 |
| InChI Key: | QOEVIRKJPJFPIY-UHFFFAOYSA-N |