N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 316943
• Molecular Formular: C30H34FNO6
• Molecular Mass: 523.5924632
• Monoisotopic Mass: 523.23701603
• SMILES: c1(C(=O)N(Cc2cc(OCCc3c(F)cccc3)ccc2)CC2OCCC2)c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1c(ccc(c1OC)OC)C(=O)N(Cc1cccc(c1)OCCc1ccccc1F)CC1CCCO1
• InChI: InChI=1S/C30H34FNO6/c1-34-27-14-13-25(28(35-2)29(27)36-3)30(33)32(20-24-11-7-16-37-24)19-21-8-6-10-23(18-21)38-17-15-22-9-4-5-12-26(22)31/h4-6,8-10,12-14,18,24H,7,11,15-17,19-20H2,1-3H3
• InChIKey: UYFOZISTSRNHTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: N-{3-[2-(2-fluorophenyl)ethoxy]benzyl}-2,3,4-trimethoxy-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.9394517
• LogD (pH = 7.4): 4.9394517
• Log P: 4.9394517
• Molar Refractivity: 143.2339 cm^3
• Polarizability: 54.87719 Å^3
• Polar Surface Area: 66.46 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 5.17
• LOG S: -6.33
• Polar Surface Area: 66.46 Å^2
• Rotatable Bonds: 9