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

• ChemBase ID: 395851
• Molecular Formular: C27H33N5O2
• Molecular Mass: 459.58322
• Monoisotopic Mass: 459.26342532
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1cn(c3c1cccc3)C)CC2)CC)CCCc1cnccc1
• Canonical SMILES: CCN1C(=O)N(C(=O)C21CCN(CC2)Cc1cn(c2c1cccc2)C)CCCc1cccnc1
• InChI: InChI=1S/C27H33N5O2/c1-3-32-26(34)31(15-7-9-21-8-6-14-28-18-21)25(33)27(32)12-16-30(17-13-27)20-22-19-29(2)24-11-5-4-10-23(22)24/h4-6,8,10-11,14,18-19H,3,7,9,12-13,15-17,20H2,1-2H3
• InChIKey: GGSOGVCPLRKSBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.49330613
• LogD (pH = 7.4): 1.0755258
• Log P: 2.8958347
• Molar Refractivity: 133.4865 cm^3
• Polarizability: 52.41899 Å^3
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.79
• LOG S: -5.28
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 6