3-benzyl-8-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-yl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 327087
• Molecular Formular: C29H38N4O3
• Molecular Mass: 490.63702
• Monoisotopic Mass: 490.2943911
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C/C=C/c1ccc(N(C)C)cc1)CCCOC)Cc1ccccc1
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)C/C=C/c1ccc(cc1)N(C)C)Cc1ccccc1
• InChI: InChI=1S/C29H38N4O3/c1-30(2)26-14-12-24(13-15-26)11-7-18-31-20-16-29(17-21-31)27(34)32(23-25-9-5-4-6-10-25)28(35)33(29)19-8-22-36-3/h4-7,9-15H,8,16-23H2,1-3H3/b11-7+
• InChIKey: GZWZBCLWLUJWHL-YRNVUSSQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-8-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-yl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-benzyl-8-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-yl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-benzyl-8-{(2E)-3-[4-(dimethylamino)phenyl]-2-propen-1-yl}-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.5597117
• LogD (pH = 7.4): 2.373306
• Log P: 3.431975
• Molar Refractivity: 146.2117 cm^3
• Polarizability: 55.378376 Å^3
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.54
• LOG S: -5.57
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 8