1-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]-3-(pyrazin-2-yl)propan-1-one

• ChemBase ID: 578647
• Molecular Formular: C24H32N4O
• Molecular Mass: 392.53708
• Monoisotopic Mass: 392.25761166
• SMILES: N1(C(=O)CCc2nccnc2)CC2(CN(CCCc3ccccc3)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2)CCCc1ccccc1)CCc1nccnc1
• InChI: InChI=1S/C24H32N4O/c29-23(10-9-22-18-25-13-14-26-22)28-17-12-24(20-28)11-5-16-27(19-24)15-4-8-21-6-2-1-3-7-21/h1-3,6-7,13-14,18H,4-5,8-12,15-17,19-20H2
• InChIKey: OOHPFBCEXZYRKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]-3-(pyrazin-2-yl)propan-1-one
• IUPAC Traditional name: 1-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]-3-(pyrazin-2-yl)propan-1-one
• Synonyms: 7-(3-phenylpropyl)-2-[3-(2-pyrazinyl)propanoyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.228342
• LogD (pH = 7.4): 0.10429324
• Log P: 2.1400287
• Molar Refractivity: 115.5948 cm^3
• Polarizability: 45.120728 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.99
• LOG S: -3.48
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 7