8-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 350212
• Molecular Formular: C26H32N4O5
• Molecular Mass: 480.55608
• Monoisotopic Mass: 480.23727014
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C/C=C/c1cc(c(cc1)O)OC)CCOC)Cc1cnccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)C/C=C/c1ccc(c(c1)OC)O)Cc1cccnc1
• InChI: InChI=1S/C26H32N4O5/c1-34-16-15-30-25(33)29(19-21-5-3-11-27-18-21)24(32)26(30)9-13-28(14-10-26)12-4-6-20-7-8-22(31)23(17-20)35-2/h3-8,11,17-18,31H,9-10,12-16,19H2,1-2H3/b6-4+
• InChIKey: WGRQVPSXNKMQJH-GQCTYLIASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-yl]-1-(2-methoxyethyl)-3-(3-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.000229
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -1.1374526
• LogD (pH = 7.4): 0.70618415
• Log P: 1.4766868
• Molar Refractivity: 133.2049 cm^3
• Polarizability: 50.95346 Å^3
• Polar Surface Area: 95.44 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.92
• LOG S: -3.98
• Polar Surface Area: 95.44 Å^2
• Rotatable Bonds: 7