2-cyclopropyl-1-[2-(2,2-diphenylethyl)morpholin-4-yl]ethan-1-one

• ChemBase ID: 633385
• Molecular Formular: C23H27NO2
• Molecular Mass: 349.46598
• Monoisotopic Mass: 349.20417911
• SMILES: N1(C(=O)CC2CC2)CC(CC(c2ccccc2)c2ccccc2)OCC1
• Canonical SMILES: O=C(N1CCOC(C1)CC(c1ccccc1)c1ccccc1)CC1CC1
• InChI: InChI=1S/C23H27NO2/c25-23(15-18-11-12-18)24-13-14-26-21(17-24)16-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21-22H,11-17H2
• InChIKey: KWNVPHRQWZAHOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-1-[2-(2,2-diphenylethyl)morpholin-4-yl]ethan-1-one
• IUPAC Traditional name: 2-cyclopropyl-1-[2-(2,2-diphenylethyl)morpholin-4-yl]ethanone
• Synonyms: 4-(cyclopropylacetyl)-2-(2,2-diphenylethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.105254
• LogD (pH = 7.4): 4.105254
• Log P: 4.105254
• Molar Refractivity: 103.5905 cm^3
• Polarizability: 40.560844 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.06
• LOG S: -4.57
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6