CHEMBL279628
methyl 2-[3-(3-carbamimidoylphenyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetate;2,2,2-trifluoroacetic acid
Also Known As: 2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate|(+/-)-2-[3-(3-Amidinophenyl)-5-[N-(2'-sulfamoylbiphenyl-4-yl)carbamoyl]-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester trifluoroacetate
CAS: 193003-99-5
| Molecular Formula | C28H26F3N5O8S |
|---|---|
| Molecular Weight | 649.14545 g/mol |
| LogP | 2.98337 |
| Topological Polar Surface Area | 224.32 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 649.14545 |
| Monoisotopic Mass | 649.14545 |
| Heavy Atoms | 45 |
| Complexity | 1762.1676 |
Chemical Identifiers
| CAS Number | 193003-99-5 |
|---|---|
| SMILES | COC(=O)CC1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N.C(=O)(C(F)(F)F)O |
Product Overview
CHEMBL279628 (CAS 193003-99-5), with molecular formula C28H26F3N5O8S and molecular weight 649.14545 g/mol. IUPAC: methyl 2-[3-(3-carbamimidoylphenyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetate;2,2,2-trifluoroacetic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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