N-(5-chloro-2-methoxyphenyl)-6,8-dioxo-2,7-diazaspiro[4.4]nonane-2-carboxamide

• ChemBase ID: 352812
• Molecular Formular: C15H16ClN3O4
• Molecular Mass: 337.75824
• Monoisotopic Mass: 337.08293369
• SMILES: C12(C(=O)NC(=O)C1)CN(C(=O)Nc1cc(ccc1OC)Cl)CC2
• Canonical SMILES: COc1ccc(cc1NC(=O)N1CCC2(C1)CC(=O)NC2=O)Cl
• InChI: InChI=1S/C15H16ClN3O4/c1-23-11-3-2-9(16)6-10(11)17-14(22)19-5-4-15(8-19)7-12(20)18-13(15)21/h2-3,6H,4-5,7-8H2,1H3,(H,17,22)(H,18,20,21)
• InChIKey: LYVHGSPPQAOLPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-chloro-2-methoxyphenyl)-6,8-dioxo-2,7-diazaspiro[4.4]nonane-2-carboxamide
• IUPAC Traditional name: N-(5-chloro-2-methoxyphenyl)-6,8-dioxo-2,7-diazaspiro[4.4]nonane-2-carboxamide
• Synonyms: N-(5-chloro-2-methoxyphenyl)-6,8-dioxo-2,7-diazaspiro[4.4]nonane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.854023
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.64091927
• LogD (pH = 7.4): 0.6394324
• Log P: 0.6409382
• Molar Refractivity: 83.7978 cm^3
• Polarizability: 31.748861 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.11
• LOG S: -2.67
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 2