2-benzyl-4-(thiophene-2-carbonyl)morpholine

• ChemBase ID: 662535
• Molecular Formular: C16H17NO2S
• Molecular Mass: 287.37668
• Monoisotopic Mass: 287.09799979
• SMILES: N1(C(=O)c2sccc2)CC(OCC1)Cc1ccccc1
• Canonical SMILES: O=C(c1cccs1)N1CCOC(C1)Cc1ccccc1
• InChI: InChI=1S/C16H17NO2S/c18-16(15-7-4-10-20-15)17-8-9-19-14(12-17)11-13-5-2-1-3-6-13/h1-7,10,14H,8-9,11-12H2
• InChIKey: BWPZFTWXGSFLSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-4-(thiophene-2-carbonyl)morpholine
• IUPAC Traditional name: 2-benzyl-4-(thiophene-2-carbonyl)morpholine
• Synonyms: 2-benzyl-4-(2-thienylcarbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0385206
• LogD (pH = 7.4): 3.0385206
• Log P: 3.0385206
• Molar Refractivity: 79.932 cm^3
• Polarizability: 30.595598 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.63
• LOG S: -3.8
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3