N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-2-(thiophen-3-yl)acetamide

• ChemBase ID: 596672
• Molecular Formular: C26H28FNO3S
• Molecular Mass: 453.5688232
• Monoisotopic Mass: 453.17739298
• SMILES: C(=O)(N(Cc1cc(OCCc2c(F)cccc2)ccc1)CC1OCCC1)Cc1cscc1
• Canonical SMILES: O=C(N(Cc1cccc(c1)OCCc1ccccc1F)CC1CCCO1)Cc1ccsc1
• InChI: InChI=1S/C26H28FNO3S/c27-25-9-2-1-6-22(25)10-13-31-23-7-3-5-20(15-23)17-28(18-24-8-4-12-30-24)26(29)16-21-11-14-32-19-21/h1-3,5-7,9,11,14-15,19,24H,4,8,10,12-13,16-18H2
• InChIKey: JNVVVSUQYOOGFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-2-(thiophen-3-yl)acetamide
• IUPAC Traditional name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-2-(thiophen-3-yl)acetamide
• Synonyms: N-{3-[2-(2-fluorophenyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)-2-(3-thienyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.173073
• LogD (pH = 7.4): 5.173073
• Log P: 5.173073
• Molar Refractivity: 125.0015 cm^3
• Polarizability: 48.008884 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.25
• LOG S: -6.37
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 10