8-methyl-2-({[5-(2-methylpropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Chemical Structure Depiction of
8-methyl-2-({[5-(2-methylpropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
8-methyl-2-({[5-(2-methylpropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0215 |
| Compound Name: | 8-methyl-2-({[5-(2-methylpropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C23 H24 N4 O S |
| Smiles: | CC(C)Cc1nnc(n1c1ccccc1)SCC1=CC(c2cccc(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6185 |
| logD: | 4.612 |
| logSw: | -4.4219 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.503 |
| InChI Key: | NVJSXCBKXIXYDA-UHFFFAOYSA-N |