7-[(3-ethenylphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 822103
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: N1(C(=O)c2occc2)CC2(CN(Cc3cc(C=C)ccc3)CCC2)CC1
• Canonical SMILES: C=Cc1cccc(c1)CN1CCCC2(C1)CCN(C2)C(=O)c1ccco1
• InChI: InChI=1S/C22H26N2O2/c1-2-18-6-3-7-19(14-18)15-23-11-5-9-22(16-23)10-12-24(17-22)21(25)20-8-4-13-26-20/h2-4,6-8,13-14H,1,5,9-12,15-17H2
• InChIKey: HKIJXAKGCXDHPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3-ethenylphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(3-ethenylphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(2-furoyl)-7-(3-vinylbenzyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.2488915
• LogD (pH = 7.4): 1.9218662
• Log P: 3.3404424
• Molar Refractivity: 104.4012 cm^3
• Polarizability: 39.784428 Å^3
• Polar Surface Area: 36.69 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: 3.07
• LOG S: -4.38
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 4