3-ethyl-1-(3-methylbutyl)-8-[(6-methylpyridin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 734576
• Molecular Formular: C21H32N4O2
• Molecular Mass: 372.50438
• Monoisotopic Mass: 372.25252628
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1nc(ccc1)C)CCC(C)C)CC
• Canonical SMILES: CCN1C(=O)N(C2(C1=O)CCN(CC2)Cc1cccc(n1)C)CCC(C)C
• InChI: InChI=1S/C21H32N4O2/c1-5-24-19(26)21(25(20(24)27)12-9-16(2)3)10-13-23(14-11-21)15-18-8-6-7-17(4)22-18/h6-8,16H,5,9-15H2,1-4H3
• InChIKey: OIBQFTIMKAHDBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-1-(3-methylbutyl)-8-[(6-methylpyridin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-ethyl-1-(3-methylbutyl)-8-[(6-methylpyridin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-ethyl-1-(3-methylbutyl)-8-[(6-methyl-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.34
• LOG S: -3.44
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0

JChem

• Molar Refractivity: 106.0262 cm^3
• Polarizability: 41.30199 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.10278868
• LogD (pH = 7.4): 1.5548034
• Log P: 1.9394537