7-(2-methoxyethyl)-2-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 854466
• Molecular Formular: C18H24N6O2
• Molecular Mass: 356.42216
• Monoisotopic Mass: 356.19607404
• SMILES: c1(n(nnn1)c1ccccc1)N1CC2(C(=O)N(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)c1nnnn1c1ccccc1
• InChI: InChI=1S/C18H24N6O2/c1-26-13-12-22-10-5-8-18(16(22)25)9-11-23(14-18)17-19-20-21-24(17)15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
• InChIKey: ZBKHOAISGXQIHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-(1-phenyl-1,2,3,4-tetrazol-5-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-(1-phenyl-1H-tetrazol-5-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.7078971
• LogD (pH = 7.4): 1.7078975
• Log P: 1.7078975
• Molar Refractivity: 100.5512 cm^3
• Polarizability: 37.509743 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.03
• LOG S: -2.68
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 5