7-(2-phenylethyl)-2-(pyrazin-2-yl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 632156
• Molecular Formular: C20H26N4
• Molecular Mass: 322.44724
• Monoisotopic Mass: 322.21574685
• SMILES: N1(c2nccnc2)CC2(CN(CCc3ccccc3)CCC2)CC1
• Canonical SMILES: c1ccc(cc1)CCN1CCCC2(C1)CCN(C2)c1cnccn1
• InChI: InChI=1S/C20H26N4/c1-2-5-18(6-3-1)7-13-23-12-4-8-20(16-23)9-14-24(17-20)19-15-21-10-11-22-19/h1-3,5-6,10-11,15H,4,7-9,12-14,16-17H2
• InChIKey: MJARCHJGKJTGEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-phenylethyl)-2-(pyrazin-2-yl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-phenylethyl)-2-(pyrazin-2-yl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-phenylethyl)-2-(2-pyrazinyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.48757613
• LogD (pH = 7.4): 1.0022155
• Log P: 2.801319
• Molar Refractivity: 98.6355 cm^3
• Polarizability: 37.696613 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.08
• LOG S: -3.17
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4