2-[({5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
2-[({5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5510 |
| Compound Name: | 2-[({5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one |
| Molecular Weight: | 412.9 |
| Molecular Formula: | C20 H17 Cl N4 O2 S |
| Smiles: | Cn1c(COc2ccccc2[Cl])nnc1SCC1=CC(c2ccccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3708 |
| logD: | 3.3662 |
| logSw: | -3.7575 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.408 |
| InChI Key: | JNJNFWRFDNUNQQ-UHFFFAOYSA-N |