7-(2-cyclohexylethyl)-2-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 859512
• Molecular Formular: C21H32N4O
• Molecular Mass: 356.50498
• Monoisotopic Mass: 356.25761166
• SMILES: N1(C(=O)c2nccnc2)CC2(CN(CCC3CCCCC3)CCC2)CC1
• Canonical SMILES: O=C(c1cnccn1)N1CCC2(C1)CCCN(C2)CCC1CCCCC1
• InChI: InChI=1S/C21H32N4O/c26-20(19-15-22-10-11-23-19)25-14-9-21(17-25)8-4-12-24(16-21)13-7-18-5-2-1-3-6-18/h10-11,15,18H,1-9,12-14,16-17H2
• InChIKey: OZSDGLLRZJIOFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-cyclohexylethyl)-2-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-cyclohexylethyl)-2-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-cyclohexylethyl)-2-(2-pyrazinylcarbonyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1681226
• LogD (pH = 7.4): -0.00525575
• Log P: 2.2504241
• Molar Refractivity: 103.4486 cm^3
• Polarizability: 40.180687 Å^3
• Polar Surface Area: 49.33 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: 2.73
• LOG S: -3.08
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4