2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5,8-dimethylquinolin-4(1H)-one
2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5775 |
| Compound Name: | 2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C26 H30 N4 O2 S |
| Smiles: | CCn1c(COc2ccc(cc2)C(C)C)nnc1SCC1=CC(c2c(C)ccc(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6863 |
| logD: | 5.6526 |
| logSw: | -5.5307 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.984 |
| InChI Key: | PCNVSNOBJWLABC-UHFFFAOYSA-N |