2-[({5-[(4-tert-butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(4-tert-butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,8-dimethylquinolin-4(1H)-one
2-[({5-[(4-tert-butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5693 |
| Compound Name: | 2-[({5-[(4-tert-butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 476.64 |
| Molecular Formula: | C27 H32 N4 O2 S |
| Smiles: | CCn1c(COc2ccc(cc2)C(C)(C)C)nnc1SCC1=CC(c2cc(C)cc(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9286 |
| logD: | 5.9181 |
| logSw: | -5.5083 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.984 |
| InChI Key: | BDSORGLIFCWJSH-UHFFFAOYSA-N |