2-(morpholin-4-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]benzamide

• ChemBase ID: 471118
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: [nH]1c2c(c(c1C)C)cc(cc2CNC(=O)c1c(N2CCOCC2)cccc1)C
• Canonical SMILES: Cc1cc(CNC(=O)c2ccccc2N2CCOCC2)c2c(c1)c(C)c([nH]2)C
• InChI: InChI=1S/C23H27N3O2/c1-15-12-18(22-20(13-15)16(2)17(3)25-22)14-24-23(27)19-6-4-5-7-21(19)26-8-10-28-11-9-26/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,24,27)
• InChIKey: UUCLXMWJFQZSMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]benzamide
• IUPAC Traditional name: 2-(morpholin-4-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]benzamide
• Synonyms: 2-morpholin-4-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.24994
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.9867446
• LogD (pH = 7.4): 3.9867449
• Log P: 3.9867449
• Molar Refractivity: 114.4674 cm^3
• Polarizability: 43.569607 Å^3
• Polar Surface Area: 57.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.2
• LOG S: -4.68
• Polar Surface Area: 57.36 Å^2
• Rotatable Bonds: 4