7-(cyclohexylmethyl)-2-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 617567
• Molecular Formular: C22H38N4
• Molecular Mass: 358.56392
• Monoisotopic Mass: 358.30964724
• SMILES: c1(c(n(nc1)CC)C)CN1CC2(CN(CC3CCCCC3)CCC2)CC1
• Canonical SMILES: CCn1ncc(c1C)CN1CCC2(C1)CCCN(C2)CC1CCCCC1
• InChI: InChI=1S/C22H38N4/c1-3-26-19(2)21(14-23-26)16-25-13-11-22(18-25)10-7-12-24(17-22)15-20-8-5-4-6-9-20/h14,20H,3-13,15-18H2,1-2H3
• InChIKey: BIZPLUFECWEKSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclohexylmethyl)-2-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclohexylmethyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclohexylmethyl)-2-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0
• Log P: 4.41
• LOG S: -3.35

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.7836941
• LogD (pH = 7.4): 0.20906587
• Log P: 3.5609374
• Molar Refractivity: 121.929 cm^3
• Polarizability: 42.85127 Å^3
• Polar Surface Area: 24.3 Å^2