2-(2-benzylmorpholine-4-carbonyl)-3,4,7-trimethyl-1H-indole

• ChemBase ID: 385475
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: c1(c(c2c([nH]1)c(ccc2C)C)C)C(=O)N1CC(OCC1)Cc1ccccc1
• Canonical SMILES: O=C(c1[nH]c2c(c1C)c(C)ccc2C)N1CCOC(C1)Cc1ccccc1
• InChI: InChI=1S/C23H26N2O2/c1-15-9-10-16(2)21-20(15)17(3)22(24-21)23(26)25-11-12-27-19(14-25)13-18-7-5-4-6-8-18/h4-10,19,24H,11-14H2,1-3H3
• InChIKey: AEZATIOCUPTEGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-benzylmorpholine-4-carbonyl)-3,4,7-trimethyl-1H-indole
• IUPAC Traditional name: 2-(2-benzylmorpholine-4-carbonyl)-3,4,7-trimethyl-1H-indole
• Synonyms: 2-[(2-benzyl-4-morpholinyl)carbonyl]-3,4,7-trimethyl-1H-indole

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.19468
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.684666
• LogD (pH = 7.4): 4.6846666
• Log P: 4.6846666
• Molar Refractivity: 109.1297 cm^3
• Polarizability: 42.458332 Å^3
• Polar Surface Area: 45.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.96
• LOG S: -4.37
• Polar Surface Area: 45.33 Å^2
• Rotatable Bonds: 3