2-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide
Chemical Structure Depiction of
2-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide
2-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide
Compound characteristics
| Compound ID: | F688-0042 |
| Compound Name: | 2-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1C)SCC1=CC(c2cc(ccc2N1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0471 |
| logD: | 2.6203 |
| logSw: | -3.4411 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.904 |
| InChI Key: | NAGHBMLEGNEOGI-UHFFFAOYSA-N |