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

• ChemBase ID: 841064
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: C12(C(=O)N(C3CCCC3)CCC2)CN(C(=O)c2cnncc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1ccnnc1)C1CCCC1
• InChI: InChI=1S/C18H24N4O2/c23-16(14-6-9-19-20-12-14)21-11-8-18(13-21)7-3-10-22(17(18)24)15-4-1-2-5-15/h6,9,12,15H,1-5,7-8,10-11,13H2
• InChIKey: SZUAFGVZFRLKLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-(pyridazin-4-ylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3803982
• LogD (pH = 7.4): 0.38040668
• Log P: 0.38040677
• Molar Refractivity: 91.6623 cm^3
• Polarizability: 34.36864 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.48
• LOG S: -2.5
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2