STK373370
3-[2,5-dioxo-3-[(E)-N'-[(E)-quinolin-4-ylmethylideneamino]carbamimidoyl]sulfanylpyrrolidin-1-yl]benzoic acid
Also Known As: BAS 00227358|(E)-3-(3-((imino(2-(quinolin-4-ylmethylene)hydrazinyl)methyl)thio)-2,5-dioxopyrrolidin-1-yl)benzoic acid|3-(3-{[((1E)-2-(4-quinolyl)-1-azavinyl)amino]iminomethylthio}-2,5-dioxoazolidi nyl)benzoic acid|3-[3-({imino[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]methyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
| Molecular Formula | C22H17N5O4S |
|---|---|
| Molecular Weight | 447.10013 g/mol |
| LogP | 2.6469 |
| Topological Polar Surface Area | 138.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.10013 |
| Monoisotopic Mass | 447.10013 |
| Heavy Atoms | 32 |
| Complexity | 1284.8112 |
Chemical Identifiers
| CAS Number | 301320-80-9 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)S/C(=N/N=C/C3=CC=NC4=CC=CC=C34)/N |
Product Overview
STK373370 (CAS 301320-80-9), with molecular formula C22H17N5O4S and molecular weight 447.10013 g/mol. IUPAC: 3-[2,5-dioxo-3-[(E)-N'-[(E)-quinolin-4-ylmethylideneamino]carbamimidoyl]sulfanylpyrrolidin-1-yl]benzoic acid.
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