2-[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methoxyquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methoxyquinolin-4(1H)-one
2-[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methoxyquinolin-4(1H)-one
Compound characteristics
Compound ID: | G751-5955 |
Compound Name: | 2-[({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methoxyquinolin-4(1H)-one |
Molecular Weight: | 436.53 |
Molecular Formula: | C23 H24 N4 O3 S |
Smiles: | CCn1c(COc2ccc(C)cc2)nnc1SCC1=CC(c2cc(ccc2N1)OC)=O |
Stereo: | ACHIRAL |
logP: | 4.337 |
logD: | 4.3273 |
logSw: | -4.3489 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.779 |
InChI Key: | PLWHTNSPAZQXII-UHFFFAOYSA-N |