2-[({5-[(4-tert-butylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-chloroquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(4-tert-butylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-chloroquinolin-4(1H)-one
2-[({5-[(4-tert-butylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-chloroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5854 |
| Compound Name: | 2-[({5-[(4-tert-butylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-chloroquinolin-4(1H)-one |
| Molecular Weight: | 469 |
| Molecular Formula: | C24 H25 Cl N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nnc(n1C)SCC1=CC(c2cc(ccc2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.659 |
| logD: | 5.436 |
| logSw: | -5.8922 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.321 |
| InChI Key: | HWZOBVLOOSHTMK-UHFFFAOYSA-N |