CBKinase1_002664
2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: CBKinase1_002664|CBKinase1_015064|AO-476/41585827|BRD-K65606227-001-01-6|2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone|2-{[4-(4-methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone|2-[4-(4-methoxyphenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]-1-phenylethan-1- one|2-{[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C22H18N4O2S |
|---|---|
| Molecular Weight | 402.11505 g/mol |
| LogP | 4.3129 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.11505 |
| Monoisotopic Mass | 402.11505 |
| Heavy Atoms | 29 |
| Complexity | 1096.8876 |
Chemical Identifiers
| CAS Number | 496775-69-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=NC=C4 |
Product Overview
CBKinase1_002664 (CAS 496775-69-0), with molecular formula C22H18N4O2S and molecular weight 402.11505 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
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