N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-9H-fluorene-9-carboxamide

• ChemBase ID: 865204
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: C1(c2c(c3c1cccc3)cccc2)C(=O)N(Cc1cn(nc1)C)CCOC
• Canonical SMILES: COCCN(C(=O)C1c2ccccc2c2c1cccc2)Cc1cnn(c1)C
• InChI: InChI=1S/C22H23N3O2/c1-24-14-16(13-23-24)15-25(11-12-27-2)22(26)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,13-14,21H,11-12,15H2,1-2H3
• InChIKey: FUAVHSFHCXURRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-9H-fluorene-9-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-9H-fluorene-9-carboxamide
• Synonyms: N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-9H-fluorene-9-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.803818
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7074506
• LogD (pH = 7.4): 2.70753
• Log P: 2.707531
• Molar Refractivity: 117.2884 cm^3
• Polarizability: 41.66641 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.44
• LOG S: -5.03
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6