7-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 408868
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)c2cc(N3C(=O)NCC3)ccc2)CC1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)C(=O)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C19H24N4O3/c1-21-9-3-6-19(17(21)25)7-10-22(13-19)16(24)14-4-2-5-15(12-14)23-11-8-20-18(23)26/h2,4-5,12H,3,6-11,13H2,1H3,(H,20,26)
• InChIKey: BKDWMGJZULNTNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-[3-(2-oxo-1-imidazolidinyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.585186
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.04352896
• LogD (pH = 7.4): 0.043529302
• Log P: 0.04352931
• Molar Refractivity: 97.126 cm^3
• Polarizability: 36.654278 Å^3
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -1.12
• LOG S: -2.15
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 2