2-[({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methylquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methylquinolin-4(1H)-one
2-[({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5618 |
| Compound Name: | 2-[({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methylquinolin-4(1H)-one |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C22 H21 Cl N4 O2 S |
| Smiles: | Cc1ccc2c(c1)C(C=C(CSc1nnc(COc3ccc(c(C)c3)[Cl])n1C)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8695 |
| logD: | 4.8634 |
| logSw: | -4.8307 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.321 |
| InChI Key: | DWSHDIFHVQIYRK-UHFFFAOYSA-N |