2-(9H-fluoren-2-ylmethyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 465834
• Molecular Formular: C23H26N2O
• Molecular Mass: 346.46534
• Monoisotopic Mass: 346.20451346
• SMILES: C12(C(=O)N(CCC2)C)CN(Cc2cc3c(c4c(C3)cccc4)cc2)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)Cc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C23H26N2O/c1-24-11-4-9-23(22(24)26)10-12-25(16-23)15-17-7-8-21-19(13-17)14-18-5-2-3-6-20(18)21/h2-3,5-8,13H,4,9-12,14-16H2,1H3
• InChIKey: NVMWZNTZTMQRAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(9H-fluoren-2-ylmethyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(9H-fluoren-2-ylmethyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(9H-fluoren-2-ylmethyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.709312
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.1820209
• LogD (pH = 7.4): 1.1677828
• Log P: 3.6323252
• Molar Refractivity: 106.029 cm^3
• Polarizability: 42.07126 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.07
• LOG S: -3.65
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2