6-chloro-2-[({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Chemical Structure Depiction of
6-chloro-2-[({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
6-chloro-2-[({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5850 |
| Compound Name: | 6-chloro-2-[({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | Cc1cccc(c1)OCc1nnc(n1C)SCC1=CC(c2cc(ccc2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3558 |
| logD: | 4.1328 |
| logSw: | -4.5536 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.321 |
| InChI Key: | LJCDOQUBCHSGTI-UHFFFAOYSA-N |