ethyl 4-oxo-2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 4-oxo-2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,4-dihydroquinoline-6-carboxylate
ethyl 4-oxo-2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | G751-1523 |
| Compound Name: | ethyl 4-oxo-2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,4-dihydroquinoline-6-carboxylate |
| Molecular Weight: | 330.36 |
| Molecular Formula: | C15 H14 N4 O3 S |
| Smiles: | CCOC(c1ccc2c(c1)C(C=C(CSc1nnc[nH]1)N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9888 |
| logD: | 1.6343 |
| logSw: | -2.8656 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.94 |
| InChI Key: | LTIFCYRDXQHZJZ-UHFFFAOYSA-N |