2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide
Chemical Structure Depiction of
2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide
2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide
Compound characteristics
| Compound ID: | F688-0005 |
| Compound Name: | 2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C20 H17 N5 O2 S |
| Smiles: | Cc1ccc(cc1)c1nnc([nH]1)SCC1=CC(c2cc(ccc2N1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6929 |
| logD: | 1.5163 |
| logSw: | -3.2647 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.327 |
| InChI Key: | JTASNVYTBPSSRR-UHFFFAOYSA-N |