Isothiazolo(5,4-b)quinoline-3,4(2H,9H)-dione, 7-((3R)-3-(1-amino-1-methylethyl)-1-pyrrolidinyl)-9-cyclopropyl-6-fluoro-8-methoxy-

Base Information

• Chemical Name: Isothiazolo(5,4-b)quinoline-3,4(2H,9H)-dione, 7-((3R)-3-(1-amino-1-methylethyl)-1-pyrrolidinyl)-9-cyclopropyl-6-fluoro-8-methoxy-
• CAS No.: 922491-46-1
• Molecular Formula: C21H25FN4O3S
• UNII: 35QF8GE1L1
• ChEMBL ID: CHEMBL1256993
• Wikidata: Q27256483

Synonyms:ACH 702;ACH-702;ACH702

Chemical Property of Isothiazolo(5,4-b)quinoline-3,4(2H,9H)-dione, 7-((3R)-3-(1-amino-1-methylethyl)-1-pyrrolidinyl)-9-cyclopropyl-6-fluoro-8-methoxy-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 432.16314001
• Heavy Atom Count: 30
• Complexity: 801

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1CCN(C1)C2=C(C=C3C(=C2OC)N(C4=C(C3=O)C(=O)NS4)C5CC5)F)N
• Isomeric SMILES: CC(C)([C@@H]1CCN(C1)C2=C(C=C3C(=C2OC)N(C4=C(C3=O)C(=O)NS4)C5CC5)F)N

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