8-cyclobutyl-1-(2-methylpropyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 319569
• Molecular Formular: C23H34N4O2
• Molecular Mass: 398.54166
• Monoisotopic Mass: 398.26817635
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C1CCC1)CC(C)C)CCCc1cnccc1
• Canonical SMILES: CC(CN1C(=O)N(C(=O)C21CCN(CC2)C1CCC1)CCCc1cccnc1)C
• InChI: InChI=1S/C23H34N4O2/c1-18(2)17-27-22(29)26(13-5-7-19-6-4-12-24-16-19)21(28)23(27)10-14-25(15-11-23)20-8-3-9-20/h4,6,12,16,18,20H,3,5,7-11,13-15,17H2,1-2H3
• InChIKey: RXALQQKTTIZGFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-cyclobutyl-1-(2-methylpropyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-cyclobutyl-1-(2-methylpropyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-cyclobutyl-1-isobutyl-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): -0.7095248
• LogD (pH = 7.4): 0.90631086
• Log P: 2.6465518
• Molar Refractivity: 113.6985 cm^3
• Polarizability: 44.333763 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.13
• LOG S: -3.94
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 6