7-[(3,4-difluorophenyl)methyl]-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 529208
• Molecular Formular: C19H25F2N3O2
• Molecular Mass: 365.4175064
• Monoisotopic Mass: 365.1914835
• SMILES: C12(C(=O)N(Cc3cc(c(cc3)F)F)CCC2)CN(C(=O)NCCC)CC1
• Canonical SMILES: CCCNC(=O)N1CCC2(C1)CCCN(C2=O)Cc1ccc(c(c1)F)F
• InChI: InChI=1S/C19H25F2N3O2/c1-2-8-22-18(26)24-10-7-19(13-24)6-3-9-23(17(19)25)12-14-4-5-15(20)16(21)11-14/h4-5,11H,2-3,6-10,12-13H2,1H3,(H,22,26)
• InChIKey: QQPULQLHSWCVBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3,4-difluorophenyl)methyl]-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: 7-[(3,4-difluorophenyl)methyl]-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: 7-(3,4-difluorobenzyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.81546
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1483104
• LogD (pH = 7.4): 2.1483107
• Log P: 2.1483107
• Molar Refractivity: 94.7636 cm^3
• Polarizability: 35.7782 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.44
• LOG S: -5.1
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2