2-(1H-imidazol-1-yl)-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethan-1-one

• ChemBase ID: 584973
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: N1(C(=O)Cn2cncc2)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)C(=O)Cn1cncc1
• InChI: InChI=1S/C20H21N3O3/c1-25-18-5-4-15-10-17(3-2-16(15)11-18)19-12-23(8-9-26-19)20(24)13-22-7-6-21-14-22/h2-7,10-11,14,19H,8-9,12-13H2,1H3
• InChIKey: MJJNCIKOYQSVCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-imidazol-1-yl)-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethan-1-one
• IUPAC Traditional name: 2-(imidazol-1-yl)-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
• Synonyms: 4-(1H-imidazol-1-ylacetyl)-2-(6-methoxy-2-naphthyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0705796
• LogD (pH = 7.4): 1.5350131
• Log P: 1.5943899
• Molar Refractivity: 97.8804 cm^3
• Polarizability: 38.96767 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.59
• LOG S: -3.97
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 4