7-(oxan-4-yl)-2-(pyridazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 420119
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: C12(C(=O)N(C3CCOCC3)CCC2)CN(C(=O)c2nnccc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1cccnn1)C1CCOCC1
• InChI: InChI=1S/C18H24N4O3/c23-16(15-3-1-8-19-20-15)21-10-7-18(13-21)6-2-9-22(17(18)24)14-4-11-25-12-5-14/h1,3,8,14H,2,4-7,9-13H2
• InChIKey: MAFZTPCXPHEFPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(oxan-4-yl)-2-(pyridazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(oxan-4-yl)-2-(pyridazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(3-pyridazinylcarbonyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.6272622
• LogD (pH = 7.4): -0.6272587
• Log P: -0.62725866
• Molar Refractivity: 93.3526 cm^3
• Polarizability: 35.096886 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.38
• LOG S: -1.84
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 2