8-(7-chloro-9-oxo-9H-fluorene-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 762907
• Molecular Formular: C22H19ClN2O3
• Molecular Mass: 394.85086
• Monoisotopic Mass: 394.10842016
• SMILES: c12C(=O)c3c(c2cccc1C(=O)N1CCC2(CC(=O)NC2)CC1)ccc(c3)Cl
• Canonical SMILES: O=C1NCC2(C1)CCN(CC2)C(=O)c1cccc2c1C(=O)c1c2ccc(c1)Cl
• InChI: InChI=1S/C22H19ClN2O3/c23-13-4-5-14-15-2-1-3-16(19(15)20(27)17(14)10-13)21(28)25-8-6-22(7-9-25)11-18(26)24-12-22/h1-5,10H,6-9,11-12H2,(H,24,26)
• InChIKey: UMYNYTKKMMIUNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(7-chloro-9-oxo-9H-fluorene-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(7-chloro-9-oxofluorene-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(7-chloro-9-oxo-9H-fluoren-1-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.019967
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.224914
• LogD (pH = 7.4): 2.224914
• Log P: 2.224914
• Molar Refractivity: 107.0527 cm^3
• Polarizability: 41.786697 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.39
• LOG S: -3.26
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 1