2-[2-(3,4-dimethyl-6-oxo-1,6-dihydropyridazin-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 604944
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: n1(nc(c(cc1=O)C)C)CC(=O)N1CC2(C(=O)N(CCC2)CCC)CC1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)C(=O)Cn1nc(C)c(cc1=O)C
• InChI: InChI=1S/C19H28N4O3/c1-4-8-21-9-5-6-19(18(21)26)7-10-22(13-19)17(25)12-23-16(24)11-14(2)15(3)20-23/h11H,4-10,12-13H2,1-3H3
• InChIKey: DNRRTGAIOHMOPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3,4-dimethyl-6-oxo-1,6-dihydropyridazin-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(3,4-dimethyl-6-oxopyridazin-1(6H)-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.605139
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.27196044
• LogD (pH = 7.4): 0.27196115
• Log P: 0.27196115
• Molar Refractivity: 99.2769 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: 0.37
• LOG S: -2.14
• Polar Surface Area: 75.51 Å^2
• Rotatable Bonds: 4