2-[({5-[(4-tert-butylphenoxy)methyl]-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-tert-butylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
2-[({5-[(4-tert-butylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
Compound characteristics
| Compound ID: | F688-0087 |
| Compound Name: | 2-[({5-[(4-tert-butylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nnc(n1C)SCC1=CC(c2cc(ccc2N1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8363 |
| logD: | 3.4096 |
| logSw: | -4.0708 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.38 |
| InChI Key: | PQBQKDAMDNFUBW-UHFFFAOYSA-N |