2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
Chemical Structure Depiction of
2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
Compound characteristics
| Compound ID: | F688-0076 |
| Compound Name: | 2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide |
| Molecular Weight: | 469.95 |
| Molecular Formula: | C22 H20 Cl N5 O3 S |
| Smiles: | CCn1c(COc2ccccc2[Cl])nnc1SCC1=CC(c2cc(ccc2N1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0511 |
| logD: | 2.6243 |
| logSw: | -3.6271 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.381 |
| InChI Key: | LPGBMJKKRPNCMJ-UHFFFAOYSA-N |