Spiroquinazoline

Base Information

• Chemical Name: Spiroquinazoline
• CAS No.: 157075-58-6
• Molecular Formula: C23H19 N5 O3
• Molecular Weight: 413.43
• UNII: 6KQ3QJ08FF
• Nikkaji Number: J1.757.206G
• Wikidata: Q77370067
• Metabolomics Workbench ID: 114250
• ChEMBL ID: CHEMBL515179
• Mol file: 157075-58-6.mol

Synonyms:spiroquinazoline

Chemical Property of Spiroquinazoline

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 99.82000
• Density: 1.71g/cm³
• LogP: 1.56990
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 413.14878949
• Heavy Atom Count: 31
• Complexity: 934

Purity/Quality:

SPIROQUINAZOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C3=NC4=CC=CC=C4C(=O)N3C(CC15C6NCC(=O)N6C7=CC=CC=C57)C(=O)N2
• Isomeric SMILES: C[C@]12C3=NC4=CC=CC=C4C(=O)N3[C@H](C[C@]15[C@H]6NCC(=O)N6C7=CC=CC=C57)C(=O)N2

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