AC1NN3RM
methyl 2-[[2-[[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: SR-01000562345-1|F6548-4256|methyl 2-(2-{[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate|methyl 2-(2-((7-oxo-6-phenyl-2-thioxo-3-(o-tolyl)-2,3,6,7-tetrahydrothiazolo[4,5-d]pyrimidin-5-yl)thio)acetamido)benzoate|methyl 2-[[2-[[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C28H22N4O4S3 |
|---|---|
| Molecular Weight | 574.0803 g/mol |
| LogP | 5.79321 |
| Topological Polar Surface Area | 95.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.0803 |
| Monoisotopic Mass | 574.0803 |
| Heavy Atoms | 39 |
| Complexity | 1826.6838 |
Chemical Identifiers
| CAS Number | 422525-64-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=C4C(=O)OC)C5=CC=CC=C5)SC2=S |
Product Overview
AC1NN3RM (CAS 422525-64-2), with molecular formula C28H22N4O4S3 and molecular weight 574.0803 g/mol. IUPAC: methyl 2-[[2-[[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetyl]amino]benzoate.
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