(3S)-3-ethyl-4-[4-(3-fluorophenyl)benzoyl]morpholine

• ChemBase ID: 678299
• Molecular Formular: C19H20FNO2
• Molecular Mass: 313.3660032
• Monoisotopic Mass: 313.14780711
• SMILES: N1(C(=O)c2ccc(c3cc(F)ccc3)cc2)[C@H](COCC1)CC
• Canonical SMILES: CC[C@H]1COCCN1C(=O)c1ccc(cc1)c1cccc(c1)F
• InChI: InChI=1S/C19H20FNO2/c1-2-18-13-23-11-10-21(18)19(22)15-8-6-14(7-9-15)16-4-3-5-17(20)12-16/h3-9,12,18H,2,10-11,13H2,1H3/t18-/m0/s1
• InChIKey: WBIUBJZVAHZRDN-SFHVURJKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-ethyl-4-[4-(3-fluorophenyl)benzoyl]morpholine
• IUPAC Traditional name: (3S)-3-ethyl-4-[4-(3-fluorophenyl)benzoyl]morpholine
• Synonyms: (3S)-3-ethyl-4-[(3'-fluorobiphenyl-4-yl)carbonyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7817624
• LogD (pH = 7.4): 3.7817626
• Log P: 3.7817626
• Molar Refractivity: 88.2997 cm^3
• Polarizability: 34.764908 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: 2.59
• LOG S: -3.7
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3