2-butyl-8-(1-methyl-6-oxo-1,6-dihydropyridazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 661548
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: c1(nn(c(=O)cc1)C)C(=O)N1CC2(CN(C(=O)CC2)CCCC)CCC1
• Canonical SMILES: CCCCN1CC2(CCCN(C2)C(=O)c2ccc(=O)n(n2)C)CCC1=O
• InChI: InChI=1S/C19H28N4O3/c1-3-4-11-22-13-19(10-8-17(22)25)9-5-12-23(14-19)18(26)15-6-7-16(24)21(2)20-15/h6-7H,3-5,8-14H2,1-2H3
• InChIKey: SUBYHFAAVAPEFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butyl-8-(1-methyl-6-oxo-1,6-dihydropyridazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-butyl-8-(1-methyl-6-oxopyridazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-butyl-8-[(1-methyl-6-oxo-1,6-dihydro-3-pyridazinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8911314
• LogD (pH = 7.4): 0.89113194
• Log P: 0.89113194
• Molar Refractivity: 99.6263 cm^3
• Polarizability: 37.685226 Å^3
• Polar Surface Area: 73.29 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: 0.08
• LOG S: -3.21
• Polar Surface Area: 75.51 Å^2
• Rotatable Bonds: 4