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

• ChemBase ID: 643184
• Molecular Formular: C27H34N4O4
• Molecular Mass: 478.58326
• Monoisotopic Mass: 478.25800559
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C/C=C/c1ccc(cc1)OC)CCCOC)Cc1ncccc1
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)C/C=C/c1ccc(cc1)OC)Cc1ccccn1
• InChI: InChI=1S/C27H34N4O4/c1-34-20-6-17-31-26(33)30(21-23-8-3-4-15-28-23)25(32)27(31)13-18-29(19-14-27)16-5-7-22-9-11-24(35-2)12-10-22/h3-5,7-12,15H,6,13-14,16-21H2,1-2H3/b7-5+
• InChIKey: TWUQVGCSAOSYDX-FNORWQNLSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.70724815
• LogD (pH = 7.4): 1.0812217
• Log P: 2.0300593
• Molar Refractivity: 135.5672 cm^3
• Polarizability: 52.1744 Å^3
• Polar Surface Area: 75.21 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: 1.8
• LOG S: -3.79
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 8