9-[2-(6-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one

• ChemBase ID: 324139
• Molecular Formular: C26H29N3O5
• Molecular Mass: 463.52556
• Monoisotopic Mass: 463.21072104
• SMILES: N1(C(=O)CN(C(=O)CC2C(=O)Nc3c2ccc(c3)OC)CC21CCCC2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)N1C(=O)CN(CC21CCCC2)C(=O)CC1C(=O)Nc2c1ccc(c2)OC
• InChI: InChI=1S/C26H29N3O5/c1-33-18-7-5-17(6-8-18)29-24(31)15-28(16-26(29)11-3-4-12-26)23(30)14-21-20-10-9-19(34-2)13-22(20)27-25(21)32/h5-10,13,21H,3-4,11-12,14-16H2,1-2H3,(H,27,32)
• InChIKey: JGLIEUGCXJCQDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[2-(6-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one
• IUPAC Traditional name: 9-[2-(6-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one
• Synonyms: 9-[(6-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]-6-(4-methoxyphenyl)-6,9-diazaspiro[4.5]decan-7-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 4.33
• LOG S: -4.38
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 3
• H Acceptors: 5
• H Donor: 1

JChem

• Molar Refractivity: 126.7794 cm^3
• Polarizability: 48.493546 Å^3
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 12.602639
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.9477272
• LogD (pH = 7.4): 1.9477246
• Log P: 1.9477273