AC1LZ1N2
3-[[2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: Oprea1_501278|BAS 13845757|A3876/0164742|3-(2-((5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid|3-[({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid|3-[(2-{[5-(2-FURYL)-4-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)AMINO]BENZOIC ACID|3-[[2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid|3-{2-[5-Furan-2-yl-4-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-benzoic acid
| Molecular Formula | C22H18N4O5S |
|---|---|
| Molecular Weight | 450.0998 g/mol |
| LogP | 3.9649 |
| Topological Polar Surface Area | 119.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.0998 |
| Monoisotopic Mass | 450.0998 |
| Heavy Atoms | 32 |
| Complexity | 1235.7119 |
Chemical Identifiers
| CAS Number | 728034-92-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CO4 |
Product Overview
AC1LZ1N2 (CAS 728034-92-2), with molecular formula C22H18N4O5S and molecular weight 450.0998 g/mol. IUPAC: 3-[[2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.