8-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]-1-(2-methoxyethyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 759062
• Molecular Formular: C26H34N4O4
• Molecular Mass: 466.57256
• Monoisotopic Mass: 466.25800559
• SMILES: N1(C(=O)N(C2(C1=O)CCN(C/C(=C/c1occc1)/C)CC2)CCOC)CCCc1cnccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)C/C(=C/c1ccco1)/C)CCCc1cccnc1
• InChI: InChI=1S/C26H34N4O4/c1-21(18-23-8-5-16-34-23)20-28-13-9-26(10-14-28)24(31)29(25(32)30(26)15-17-33-2)12-4-7-22-6-3-11-27-19-22/h3,5-6,8,11,16,18-19H,4,7,9-10,12-15,17,20H2,1-2H3/b21-18+
• InChIKey: PVZWZTQSTDSYDW-DYTRJAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]-1-(2-methoxyethyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]-1-(2-methoxyethyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-[(2E)-3-(2-furyl)-2-methyl-2-propen-1-yl]-1-(2-methoxyethyl)-3-[3-(3-pyridinyl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.6100931
• LogD (pH = 7.4): 1.2546798
• Log P: 2.0831368
• Molar Refractivity: 130.7897 cm^3
• Polarizability: 50.21689 Å^3
• Polar Surface Area: 79.12 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.07
• LOG S: -4.16
• Polar Surface Area: 79.12 Å^2
• Rotatable Bonds: 9