7-(2-cyclohexylethyl)-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 320883
• Molecular Formular: C23H35N3O
• Molecular Mass: 369.5435
• Monoisotopic Mass: 369.27801276
• SMILES: N1(C(=O)c2nc(ccc2)C)CC2(CN(CCC3CCCCC3)CCC2)CC1
• Canonical SMILES: Cc1cccc(n1)C(=O)N1CCC2(C1)CCCN(C2)CCC1CCCCC1
• InChI: InChI=1S/C23H35N3O/c1-19-7-5-10-21(24-19)22(27)26-16-13-23(18-26)12-6-14-25(17-23)15-11-20-8-3-2-4-9-20/h5,7,10,20H,2-4,6,8-9,11-18H2,1H3
• InChIKey: ZWOZMMCAAGHEPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-cyclohexylethyl)-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-cyclohexylethyl)-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-cyclohexylethyl)-2-[(6-methyl-2-pyridinyl)carbonyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.17486063
• LogD (pH = 7.4): 1.3103557
• Log P: 3.5994668
• Molar Refractivity: 110.197 cm^3
• Polarizability: 42.84486 Å^3
• Polar Surface Area: 36.44 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: 4.18
• LOG S: -4.6
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4