methyl 2-[8-(2,2-diphenylethyl)-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate

• ChemBase ID: 503046
• Molecular Formular: C27H33N3O5
• Molecular Mass: 479.56802
• Monoisotopic Mass: 479.24202117
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC(c1ccccc1)c1ccccc1)CC2)CCOC)CC(=O)OC
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)CC(c1ccccc1)c1ccccc1)CC(=O)OC
• InChI: InChI=1S/C27H33N3O5/c1-34-18-17-30-26(33)29(20-24(31)35-2)25(32)27(30)13-15-28(16-14-27)19-23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,23H,13-20H2,1-2H3
• InChIKey: UZKBDFQGWLFBLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[8-(2,2-diphenylethyl)-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
• IUPAC Traditional name: methyl 2-[8-(2,2-diphenylethyl)-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
• Synonyms: methyl [8-(2,2-diphenylethyl)-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl]acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0985503
• LogD (pH = 7.4): -0.042176116
• Log P: 2.3408978
• Molar Refractivity: 132.1618 cm^3
• Polarizability: 51.420013 Å^3
• Polar Surface Area: 79.39 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: 3.12
• LOG S: -3.95
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 8