7-(2-cyclohexylethyl)-2-[5-(methoxymethyl)furan-2-carbonyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 387854
• Molecular Formular: C23H36N2O3
• Molecular Mass: 388.54354
• Monoisotopic Mass: 388.27259302
• SMILES: N1(C(=O)c2oc(cc2)COC)CC2(CN(CCC3CCCCC3)CCC2)CC1
• Canonical SMILES: COCc1ccc(o1)C(=O)N1CCC2(C1)CCCN(C2)CCC1CCCCC1
• InChI: InChI=1S/C23H36N2O3/c1-27-16-20-8-9-21(28-20)22(26)25-15-12-23(18-25)11-5-13-24(17-23)14-10-19-6-3-2-4-7-19/h8-9,19H,2-7,10-18H2,1H3
• InChIKey: YVOBQQFQWLGOHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-cyclohexylethyl)-2-[5-(methoxymethyl)furan-2-carbonyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-cyclohexylethyl)-2-[5-(methoxymethyl)furan-2-carbonyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-cyclohexylethyl)-2-[5-(methoxymethyl)-2-furoyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.26139355
• LogD (pH = 7.4): 0.9067601
• Log P: 3.1559432
• Molar Refractivity: 111.9699 cm^3
• Polarizability: 43.208706 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.74
• LOG S: -4.29
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 5