AC1LXSMT
3-[[2-[[4-(2-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: CBKinase1_011882|CBKinase1_024282|BRD-K80857064-001-01-2|3-(2-((4-(2-chlorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid|3-[[2-[[4-(2-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic Acid|3-[({[4-(2-chlorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid|3-[(2-{[4-(2-CHLOROPHENYL)-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)AMINO]BENZOIC ACID
| Molecular Formula | C21H15ClN4O3S2 |
|---|---|
| Molecular Weight | 470.0274 g/mol |
| LogP | 5.0782 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.0274 |
| Monoisotopic Mass | 470.0274 |
| Heavy Atoms | 31 |
| Complexity | 1241.173 |
Chemical Identifiers
| CAS Number | 838271-89-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CS4)Cl |
Product Overview
AC1LXSMT (CAS 838271-89-9), with molecular formula C21H15ClN4O3S2 and molecular weight 470.0274 g/mol. IUPAC: 3-[[2-[[4-(2-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
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