7-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)-2-oxa-7-azaspiro[4.5]decane

• ChemBase ID: 827455
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: c1(n(nnn1)c1ccccc1)N1CC2(COCC2)CCC1
• Canonical SMILES: c1ccc(cc1)n1nnnc1N1CCCC2(C1)COCC2
• InChI: InChI=1S/C15H19N5O/c1-2-5-13(6-3-1)20-14(16-17-18-20)19-9-4-7-15(11-19)8-10-21-12-15/h1-3,5-6H,4,7-12H2
• InChIKey: GNSWBSFBSWADNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)-2-oxa-7-azaspiro[4.5]decane
• IUPAC Traditional name: 7-(1-phenyl-1,2,3,4-tetrazol-5-yl)-2-oxa-7-azaspiro[4.5]decane
• Synonyms: 7-(1-phenyl-1H-tetrazol-5-yl)-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.285126
• LogD (pH = 7.4): 2.2851262
• Log P: 2.2851262
• Molar Refractivity: 82.7008 cm^3
• Polarizability: 30.759018 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.44
• LOG S: -3.22
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 2