CBKinase1_003755
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: CBKinase1_003755|CBKinase1_016155|BRD-K54391764-001-01-7|2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide|2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide|2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide|2-[4-(4-chlorophenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]-N-(4-methoxypheny l)acetamide|2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(4-METHOXYPHENYL)ACETAMIDE
| Molecular Formula | C22H18ClN5O2S |
|---|---|
| Molecular Weight | 451.08698 g/mol |
| LogP | 4.7221 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.08698 |
| Monoisotopic Mass | 451.08698 |
| Heavy Atoms | 31 |
| Complexity | 1164.9978 |
Chemical Identifiers
| CAS Number | 613225-79-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
Product Overview
CBKinase1_003755 (CAS 613225-79-9), with molecular formula C22H18ClN5O2S and molecular weight 451.08698 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.