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

• ChemBase ID: 512083
• Molecular Formular: C26H32N4O4
• Molecular Mass: 464.55668
• Monoisotopic Mass: 464.24235552
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C/C=C/c1c(OC)cccc1)CCOC)Cc1cnccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)C/C=C/c1ccccc1OC)Cc1cccnc1
• InChI: InChI=1S/C26H32N4O4/c1-33-18-17-30-25(32)29(20-21-7-5-13-27-19-21)24(31)26(30)11-15-28(16-12-26)14-6-9-22-8-3-4-10-23(22)34-2/h3-10,13,19H,11-12,14-18,20H2,1-2H3/b9-6+
• InChIKey: AZXNPZSPPVQMGM-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.73695385
• LogD (pH = 7.4): 1.105445
• Log P: 1.8886276
• Molar Refractivity: 131.224 cm^3
• Polarizability: 50.33573 Å^3
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.66
• LOG S: -3.3
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 7