5-methyl-1-{[2-(5-methyl-2-nitrophenoxy)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinoline
Chemical Structure Depiction of
5-methyl-1-{[2-(5-methyl-2-nitrophenoxy)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinoline
5-methyl-1-{[2-(5-methyl-2-nitrophenoxy)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinoline
Compound characteristics
| Compound ID: | 3334-4301 |
| Compound Name: | 5-methyl-1-{[2-(5-methyl-2-nitrophenoxy)ethyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinoline |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | Cc1ccc(c(c1)OCCSc1nnc2cc(C)c3ccccc3n12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6341 |
| logD: | 4.6341 |
| logSw: | -4.4633 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.667 |
| InChI Key: | PCMQYAVJNMTGMD-UHFFFAOYSA-N |