1-methyl-8-[(1-methyl-1H-indol-3-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 525414
• Molecular Formular: C22H30N4O2
• Molecular Mass: 382.4992
• Monoisotopic Mass: 382.23687622
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1cn(c3c1cccc3)C)CC2)C)CC(C)C
• Canonical SMILES: CC(CN1C(=O)N(C2(C1=O)CCN(CC2)Cc1cn(c2c1cccc2)C)C)C
• InChI: InChI=1S/C22H30N4O2/c1-16(2)13-26-20(27)22(24(4)21(26)28)9-11-25(12-10-22)15-17-14-23(3)19-8-6-5-7-18(17)19/h5-8,14,16H,9-13,15H2,1-4H3
• InChIKey: BUFHNJHHPHLWGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-8-[(1-methyl-1H-indol-3-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-methyl-8-[(1-methylindol-3-yl)methyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-isobutyl-1-methyl-8-[(1-methyl-1H-indol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.768172
• LogD (pH = 7.4): 0.6852481
• Log P: 2.5432992
• Molar Refractivity: 110.6704 cm^3
• Polarizability: 43.719376 Å^3
• Polar Surface Area: 48.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.74
• LOG S: -3.8
• Polar Surface Area: 48.79 Å^2
• Rotatable Bonds: 3