1-methyl-8-(2-phenylethyl)-3-[3-(pyridin-4-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 410561
• Molecular Formular: C24H30N4O2
• Molecular Mass: 406.5206
• Monoisotopic Mass: 406.23687622
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CCc1ccccc1)C)CCCc1ccncc1
• Canonical SMILES: O=C1N(CCCc2ccncc2)C(=O)C2(N1C)CCN(CC2)CCc1ccccc1
• InChI: InChI=1S/C24H30N4O2/c1-26-23(30)28(16-5-8-21-9-14-25-15-10-21)22(29)24(26)12-18-27(19-13-24)17-11-20-6-3-2-4-7-20/h2-4,6-7,9-10,14-15H,5,8,11-13,16-19H2,1H3
• InChIKey: VZOGVTAJUXWNHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-8-(2-phenylethyl)-3-[3-(pyridin-4-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-methyl-8-(2-phenylethyl)-3-[3-(pyridin-4-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-methyl-8-(2-phenylethyl)-3-[3-(4-pyridinyl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.88394666
• LogD (pH = 7.4): 0.7439837
• Log P: 2.5052497
• Molar Refractivity: 117.5097 cm^3
• Polarizability: 45.372143 Å^3
• Polar Surface Area: 56.75 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: 1.95
• LOG S: -4.32
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7