ethyl 2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
ethyl 2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | G751-1598 |
| Compound Name: | ethyl 2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CCOC(c1ccc2c(c1)C(C=C(CSc1nnc(c3ccccc3)n1C)N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3595 |
| logD: | 4.1765 |
| logSw: | -4.218 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.599 |
| InChI Key: | OTLWJMLXHLTKGC-UHFFFAOYSA-N |