2-[({5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methoxyquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methoxyquinolin-4(1H)-one
2-[({5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methoxyquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5944 |
| Compound Name: | 2-[({5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methoxyquinolin-4(1H)-one |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | Cn1c(COc2ccccc2[Cl])nnc1SCC1=CC(c2cc(ccc2N1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6938 |
| logD: | 3.6841 |
| logSw: | -4.0687 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.951 |
| InChI Key: | XXCRGEAXCBOQLG-UHFFFAOYSA-N |