2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methylquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methylquinolin-4(1H)-one
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5642 |
| Compound Name: | 2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methylquinolin-4(1H)-one |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | Cc1ccc2c(c1)C(C=C(CSc1nnc(COc3cc(C)ccc3C)n1C)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5128 |
| logD: | 4.5067 |
| logSw: | -4.354 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.408 |
| InChI Key: | IGHVAYJMZBKYOR-UHFFFAOYSA-N |