2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxamide
Chemical Structure Depiction of
2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxamide
2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxamide
Compound characteristics
| Compound ID: | F688-0008 |
| Compound Name: | 2-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxamide |
| Molecular Weight: | 315.35 |
| Molecular Formula: | C14 H13 N5 O2 S |
| Smiles: | Cc1nnc([nH]1)SCC1=CC(c2cc(ccc2N1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4984 |
| logD: | 0.0716 |
| logSw: | -2.4162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.212 |
| InChI Key: | UWQSYLYXGCHXNB-UHFFFAOYSA-N |