ethyl 2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
ethyl 2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | G751-1530 |
| Compound Name: | ethyl 2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C16 H16 N4 O3 S |
| Smiles: | CCOC(c1ccc2c(c1)C(C=C(CSc1nnc(C)[nH]1)N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3392 |
| logD: | 1.92 |
| logSw: | -3.0033 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.907 |
| InChI Key: | NNLRWOJIDWABNW-UHFFFAOYSA-N |