ethyl 2-{[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
ethyl 2-{[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | G751-1585 |
| Compound Name: | ethyl 2-{[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Smiles: | CCCCc1nnc(n1C)SCC1=CC(c2cc(ccc2N1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9949 |
| logD: | 3.8119 |
| logSw: | -4.1753 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.847 |
| InChI Key: | HQXWCGULVUZMQV-UHFFFAOYSA-N |