N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

• ChemBase ID: 340021
• Molecular Formular: C22H22N4O2
• Molecular Mass: 374.43568
• Monoisotopic Mass: 374.17427596
• SMILES: c1([nH]c2c(c1C)cc(cc2CNC(=O)Cc1nonc1C)C)c1ccccc1
• Canonical SMILES: O=C(Cc1nonc1C)NCc1cc(C)cc2c1[nH]c(c2C)c1ccccc1
• InChI: InChI=1S/C22H22N4O2/c1-13-9-17(12-23-20(27)11-19-15(3)25-28-26-19)22-18(10-13)14(2)21(24-22)16-7-5-4-6-8-16/h4-10,24H,11-12H2,1-3H3,(H,23,27)
• InChIKey: KUWYSIYRJCNYKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• IUPAC Traditional name: N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• Synonyms: N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.199884
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.5510976
• LogD (pH = 7.4): 3.5510976
• Log P: 3.5510976
• Molar Refractivity: 109.4698 cm^3
• Polarizability: 43.215553 Å^3
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.1
• LOG S: -4.57
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 5