6-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-indole

• ChemBase ID: 351599
• Molecular Formular: C19H17ClN2O2
• Molecular Mass: 340.80348
• Monoisotopic Mass: 340.09785547
• SMILES: N1(C(=O)c2cc3[nH]ccc3cc2)CC(c2ccc(cc2)Cl)OCC1
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)C(=O)c1ccc2c(c1)[nH]cc2
• InChI: InChI=1S/C19H17ClN2O2/c20-16-5-3-14(4-6-16)18-12-22(9-10-24-18)19(23)15-2-1-13-7-8-21-17(13)11-15/h1-8,11,18,21H,9-10,12H2
• InChIKey: HGFIZGKMNYYKBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-indole
• IUPAC Traditional name: 6-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-indole
• Synonyms: 6-{[2-(4-chlorophenyl)morpholin-4-yl]carbonyl}-1H-indole

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.053069
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5397847
• LogD (pH = 7.4): 3.5397847
• Log P: 3.5397847
• Molar Refractivity: 94.1784 cm^3
• Polarizability: 37.142914 Å^3
• Polar Surface Area: 45.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.47
• LOG S: -3.79
• Polar Surface Area: 45.33 Å^2
• Rotatable Bonds: 2