7-(2-cyclohexylethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 570755
• Molecular Formular: C23H36N4O
• Molecular Mass: 384.55814
• Monoisotopic Mass: 384.28891179
• SMILES: N1(C(=O)c2nc(nc(c2)C)C)CC2(CN(CCC3CCCCC3)CCC2)CC1
• Canonical SMILES: Cc1nc(C)nc(c1)C(=O)N1CCC2(C1)CCCN(C2)CCC1CCCCC1
• InChI: InChI=1S/C23H36N4O/c1-18-15-21(25-19(2)24-18)22(28)27-14-11-23(17-27)10-6-12-26(16-23)13-9-20-7-4-3-5-8-20/h15,20H,3-14,16-17H2,1-2H3
• InChIKey: ZQEDCIOKYDCMID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-cyclohexylethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-cyclohexylethyl)-2-(2,6-dimethylpyrimidine-4-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-cyclohexylethyl)-2-[(2,6-dimethyl-4-pyrimidinyl)carbonyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.20836157
• LogD (pH = 7.4): 1.0437002
• Log P: 3.3274775
• Molar Refractivity: 113.6426 cm^3
• Polarizability: 43.712936 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: 3.73
• LOG S: -4.65
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4