6-ethyl-2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
6-ethyl-2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
6-ethyl-2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-6039 |
| Compound Name: | 6-ethyl-2-{[(4-ethyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C26 H30 N4 O2 S |
| Smiles: | CCc1ccc2c(c1)C(C=C(CSc1nnc(COc3ccc(cc3)C(C)C)n1CC)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.085 |
| logD: | 6.0789 |
| logSw: | -5.4577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.236 |
| InChI Key: | PDABBLDXADVSLK-UHFFFAOYSA-N |