N-({3-methoxy-4-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide

• ChemBase ID: 423595
• Molecular Formular: C28H28N2O3S
• Molecular Mass: 472.59852
• Monoisotopic Mass: 472.18206377
• SMILES: N(C(=O)c1ccc(cc1)C)(Cc1cc(c(cc1)OCCc1sccc1)OC)Cc1ncccc1
• Canonical SMILES: COc1cc(ccc1OCCc1cccs1)CN(C(=O)c1ccc(cc1)C)Cc1ccccn1
• InChI: InChI=1S/C28H28N2O3S/c1-21-8-11-23(12-9-21)28(31)30(20-24-6-3-4-15-29-24)19-22-10-13-26(27(18-22)32-2)33-16-14-25-7-5-17-34-25/h3-13,15,17-18H,14,16,19-20H2,1-2H3
• InChIKey: RLFNHTSYGSIXJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-methoxy-4-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
• IUPAC Traditional name: N-({3-methoxy-4-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
• Synonyms: N-{3-methoxy-4-[2-(2-thienyl)ethoxy]benzyl}-4-methyl-N-(2-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.6904187
• LogD (pH = 7.4): 5.7078514
• Log P: 5.7080784
• Molar Refractivity: 135.8114 cm^3
• Polarizability: 51.93213 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.34
• LOG S: -7.02
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 9