7,8-dimethyl-2-{[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
7,8-dimethyl-2-{[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
7,8-dimethyl-2-{[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5672 |
| Compound Name: | 7,8-dimethyl-2-{[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C25 H28 N4 O2 S |
| Smiles: | CC(C)c1ccc(cc1)OCc1nnc(n1C)SCC1=CC(c2ccc(C)c(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.121 |
| logD: | 5.1157 |
| logSw: | -4.9061 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.069 |
| InChI Key: | BHIHHFWTWINKTC-UHFFFAOYSA-N |