N-(1H-indazol-6-yl)-2-[4-(2-phenylethyl)morpholin-3-yl]acetamide

• ChemBase ID: 355022
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: n1[nH]c2c(c1)ccc(c2)NC(=O)CC1N(CCc2ccccc2)CCOC1
• Canonical SMILES: O=C(CC1COCCN1CCc1ccccc1)Nc1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C21H24N4O2/c26-21(23-18-7-6-17-14-22-24-20(17)12-18)13-19-15-27-11-10-25(19)9-8-16-4-2-1-3-5-16/h1-7,12,14,19H,8-11,13,15H2,(H,22,24)(H,23,26)
• InChIKey: YYRCGZUXCUZTQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indazol-6-yl)-2-[4-(2-phenylethyl)morpholin-3-yl]acetamide
• IUPAC Traditional name: N-(1H-indazol-6-yl)-2-[4-(2-phenylethyl)morpholin-3-yl]acetamide
• Synonyms: N-1H-indazol-6-yl-2-[4-(2-phenylethyl)-3-morpholinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.998434
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.593757
• LogD (pH = 7.4): 2.2010036
• Log P: 2.51693
• Molar Refractivity: 107.1768 cm^3
• Polarizability: 41.586296 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.28
• LOG S: -3.8
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 6