1-[2-(3-phenylpropyl)morpholin-4-yl]-3-(thiophen-3-yl)propan-1-one

• ChemBase ID: 356205
• Molecular Formular: C20H25NO2S
• Molecular Mass: 343.483
• Monoisotopic Mass: 343.16060005
• SMILES: N1(C(=O)CCc2cscc2)CC(OCC1)CCCc1ccccc1
• Canonical SMILES: O=C(N1CCOC(C1)CCCc1ccccc1)CCc1cscc1
• InChI: InChI=1S/C20H25NO2S/c22-20(10-9-18-11-14-24-16-18)21-12-13-23-19(15-21)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,11,14,16,19H,4,7-10,12-13,15H2
• InChIKey: RHFNCVFHCUOUQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-phenylpropyl)morpholin-4-yl]-3-(thiophen-3-yl)propan-1-one
• IUPAC Traditional name: 1-[2-(3-phenylpropyl)morpholin-4-yl]-3-(thiophen-3-yl)propan-1-one
• Synonyms: 2-(3-phenylpropyl)-4-[3-(3-thienyl)propanoyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2199526
• LogD (pH = 7.4): 4.2199526
• Log P: 4.2199526
• Molar Refractivity: 98.0023 cm^3
• Polarizability: 38.07999 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.92
• LOG S: -4.82
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7