2-(furan-2-ylmethyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 858104
• Molecular Formular: C22H30N2O
• Molecular Mass: 338.4864
• Monoisotopic Mass: 338.23581359
• SMILES: N1(CC2(CN(CCCc3ccccc3)CCC2)CC1)Cc1occc1
• Canonical SMILES: c1ccc(cc1)CCCN1CCCC2(C1)CCN(C2)Cc1ccco1
• InChI: InChI=1S/C22H30N2O/c1-2-7-20(8-3-1)9-4-13-23-14-6-11-22(18-23)12-15-24(19-22)17-21-10-5-16-25-21/h1-3,5,7-8,10,16H,4,6,9,11-15,17-19H2
• InChIKey: LCFVBXMLMVRVID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-ylmethyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(furan-2-ylmethyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(2-furylmethyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.3160534
• LogD (pH = 7.4): 1.1556324
• Log P: 3.9803746
• Molar Refractivity: 103.7418 cm^3
• Polarizability: 40.43799 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.7
• LOG S: -2.6
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 6