2-benzyl-8-(pyrazin-2-yl)-2,8-diazaspiro[5.5]undecane

• ChemBase ID: 339107
• Molecular Formular: C20H26N4
• Molecular Mass: 322.44724
• Monoisotopic Mass: 322.21574685
• SMILES: N1(c2nccnc2)CC2(CN(Cc3ccccc3)CCC2)CCC1
• Canonical SMILES: c1ccc(cc1)CN1CCCC2(C1)CCCN(C2)c1cnccn1
• InChI: InChI=1S/C20H26N4/c1-2-6-18(7-3-1)15-23-12-4-8-20(16-23)9-5-13-24(17-20)19-14-21-10-11-22-19/h1-3,6-7,10-11,14H,4-5,8-9,12-13,15-17H2
• InChIKey: UFTRKQJNCBJASP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-8-(pyrazin-2-yl)-2,8-diazaspiro[5.5]undecane
• IUPAC Traditional name: 2-benzyl-8-(pyrazin-2-yl)-2,8-diazaspiro[5.5]undecane
• Synonyms: 2-benzyl-8-(2-pyrazinyl)-2,8-diazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.23572911
• LogD (pH = 7.4): 1.3650634
• Log P: 2.9572265
• Molar Refractivity: 98.4815 cm^3
• Polarizability: 37.772785 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.12
• LOG S: -3.21
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3