2-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide
Chemical Structure Depiction of
2-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide
2-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide
Compound characteristics
| Compound ID: | F688-0043 |
| Compound Name: | 2-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | Cn1c(c2ccc(cc2)OC)nnc1SCC1=CC(c2cc(ccc2N1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.606 |
| logD: | 2.1793 |
| logSw: | -3.2928 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.448 |
| InChI Key: | HLLLCMPMPZKQDM-UHFFFAOYSA-N |