N-(3-fluorophenyl)-2-{7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl}-2-oxoacetamide

• ChemBase ID: 364253
• Molecular Formular: C18H23FN4O3
• Molecular Mass: 362.3986232
• Monoisotopic Mass: 362.17541884
• SMILES: C12(C(=O)NCCCN1C)CCN(C(=O)C(=O)Nc1cc(F)ccc1)CC2
• Canonical SMILES: Fc1cccc(c1)NC(=O)C(=O)N1CCC2(CC1)N(C)CCCNC2=O
• InChI: InChI=1S/C18H23FN4O3/c1-22-9-3-8-20-17(26)18(22)6-10-23(11-7-18)16(25)15(24)21-14-5-2-4-13(19)12-14/h2,4-5,12H,3,6-11H2,1H3,(H,20,26)(H,21,24)
• InChIKey: SESDGHOLYUKRFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-fluorophenyl)-2-{7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl}-2-oxoacetamide
• IUPAC Traditional name: N-(3-fluorophenyl)-2-{7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl}-2-oxoacetamide
• Synonyms: N-(3-fluorophenyl)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodec-3-yl)-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.972822
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2737236
• LogD (pH = 7.4): -0.54579526
• Log P: -0.008233386
• Molar Refractivity: 95.7387 cm^3
• Polarizability: 35.85485 Å^3
• Polar Surface Area: 81.75 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: 0.15
• LOG S: -3.28
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 2