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

• ChemBase ID: 427775
• Molecular Formular: C20H26N6O
• Molecular Mass: 366.46004
• Monoisotopic Mass: 366.21680948
• SMILES: c1(n(nnn1)c1ccccc1)N1CC2(C(=O)N(CC3CCC3)CCC2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)c1nnnn1c1ccccc1)CC1CCC1
• InChI: InChI=1S/C20H26N6O/c27-18-20(10-5-12-24(18)14-16-6-4-7-16)11-13-25(15-20)19-21-22-23-26(19)17-8-2-1-3-9-17/h1-3,8-9,16H,4-7,10-15H2
• InChIKey: LLOMJCNVPVORLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9800174
• LogD (pH = 7.4): 2.980019
• Log P: 2.980019
• Molar Refractivity: 106.0507 cm^3
• Polarizability: 39.75544 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.48
• LOG S: -3.99
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4