2-benzyl-8-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 670819
• Molecular Formular: C22H24N6O
• Molecular Mass: 388.46556
• Monoisotopic Mass: 388.20115942
• SMILES: c1(n(nnn1)c1ccccc1)N1CCC2(CN(C(=O)C2)Cc2ccccc2)CC1
• Canonical SMILES: O=C1CC2(CN1Cc1ccccc1)CCN(CC2)c1nnnn1c1ccccc1
• InChI: InChI=1S/C22H24N6O/c29-20-15-22(17-27(20)16-18-7-3-1-4-8-18)11-13-26(14-12-22)21-23-24-25-28(21)19-9-5-2-6-10-19/h1-10H,11-17H2
• InChIKey: VVJFYTUDZITXTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-8-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-benzyl-8-(1-phenyl-1,2,3,4-tetrazol-5-yl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-benzyl-8-(1-phenyl-1H-tetrazol-5-yl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9674115
• LogD (pH = 7.4): 2.9674118
• Log P: 2.9674118
• Molar Refractivity: 114.0685 cm^3
• Polarizability: 42.706497 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: 2.57
• LOG S: -4.23
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4