N-(2-fluoro-4-methoxyphenyl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]acetamide

• ChemBase ID: 621726
• Molecular Formular: C18H21FN2O3S
• Molecular Mass: 364.4343432
• Monoisotopic Mass: 364.12569176
• SMILES: N1(C(CC(=O)Nc2c(cc(cc2)OC)F)COCC1)Cc1cscc1
• Canonical SMILES: COc1ccc(c(c1)F)NC(=O)CC1COCCN1Cc1cscc1
• InChI: InChI=1S/C18H21FN2O3S/c1-23-15-2-3-17(16(19)9-15)20-18(22)8-14-11-24-6-5-21(14)10-13-4-7-25-12-13/h2-4,7,9,12,14H,5-6,8,10-11H2,1H3,(H,20,22)
• InChIKey: GCBMJUKXHIXHOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoro-4-methoxyphenyl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]acetamide
• IUPAC Traditional name: N-(2-fluoro-4-methoxyphenyl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]acetamide
• Synonyms: N-(2-fluoro-4-methoxyphenyl)-2-[4-(3-thienylmethyl)-3-morpholinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.173955
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4438955
• LogD (pH = 7.4): 2.5912666
• Log P: 2.6706798
• Molar Refractivity: 96.1921 cm^3
• Polarizability: 36.38338 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.85
• LOG S: -3.44
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6