(2E)-3-(furan-2-yl)-1-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one

• ChemBase ID: 323922
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: N1(C(=O)/C=C/c2occc2)CC2(CN(CCCc3ccccc3)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2)CCCc1ccccc1)/C=C/c1ccco1
• InChI: InChI=1S/C24H30N2O2/c27-23(12-11-22-10-5-18-28-22)26-17-14-24(20-26)13-6-16-25(19-24)15-4-9-21-7-2-1-3-8-21/h1-3,5,7-8,10-12,18H,4,6,9,13-17,19-20H2/b12-11+
• InChIKey: RIBVJLBTVLRPDZ-VAWYXSNFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-3-(furan-2-yl)-1-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one
• IUPAC Traditional name: (2E)-3-(furan-2-yl)-1-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one
• Synonyms: 2-[(2E)-3-(2-furyl)-2-propenoyl]-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.466223
• LogD (pH = 7.4): 1.7780981
• Log P: 3.8422277
• Molar Refractivity: 113.8166 cm^3
• Polarizability: 43.61567 Å^3
• Polar Surface Area: 36.69 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: 4.32
• LOG S: -4.97
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 6