2-benzyl-4-(thiophene-3-carbonyl)morpholine

• ChemBase ID: 715319
• Molecular Formular: C16H17NO2S
• Molecular Mass: 287.37668
• Monoisotopic Mass: 287.09799979
• SMILES: C(=O)(N1CC(OCC1)Cc1ccccc1)c1cscc1
• Canonical SMILES: O=C(c1cscc1)N1CCOC(C1)Cc1ccccc1
• InChI: InChI=1S/C16H17NO2S/c18-16(14-6-9-20-12-14)17-7-8-19-15(11-17)10-13-4-2-1-3-5-13/h1-6,9,12,15H,7-8,10-11H2
• InChIKey: AAOFQKHQCBMHJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-4-(thiophene-3-carbonyl)morpholine
• IUPAC Traditional name: 2-benzyl-4-(thiophene-3-carbonyl)morpholine
• Synonyms: 2-benzyl-4-(3-thienylcarbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9060812
• LogD (pH = 7.4): 2.9060812
• Log P: 2.9060812
• Molar Refractivity: 80.1479 cm^3
• Polarizability: 30.590097 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: -3.77
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3