8-(6-chloropyridazin-3-yl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 571607
• Molecular Formular: C12H15ClN4O
• Molecular Mass: 266.7267
• Monoisotopic Mass: 266.0934388
• SMILES: N1(c2nnc(cc2)Cl)CCC2(CC(=O)NC2)CC1
• Canonical SMILES: O=C1NCC2(C1)CCN(CC2)c1ccc(nn1)Cl
• InChI: InChI=1S/C12H15ClN4O/c13-9-1-2-10(16-15-9)17-5-3-12(4-6-17)7-11(18)14-8-12/h1-2H,3-8H2,(H,14,18)
• InChIKey: USOKOOZFNDVBML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(6-chloropyridazin-3-yl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(6-chloropyridazin-3-yl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(6-chloropyridazin-3-yl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.21242
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.51863414
• LogD (pH = 7.4): 0.5188223
• Log P: 0.5188253
• Molar Refractivity: 72.037 cm^3
• Polarizability: 26.16907 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.11
• LOG S: -2.36
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 1