N-({3-methoxy-4-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide

• ChemBase ID: 441720
• Molecular Formular: C31H28N2O3S
• Molecular Mass: 508.63062
• Monoisotopic Mass: 508.18206377
• SMILES: C(=O)(N(Cc1cc(c(cc1)OCCc1sccc1)OC)Cc1ncccc1)c1c2c(ccc1)cccc2
• Canonical SMILES: COc1cc(ccc1OCCc1cccs1)CN(C(=O)c1cccc2c1cccc2)Cc1ccccn1
• InChI: InChI=1S/C31H28N2O3S/c1-35-30-20-23(14-15-29(30)36-18-16-26-11-7-19-37-26)21-33(22-25-10-4-5-17-32-25)31(34)28-13-6-9-24-8-2-3-12-27(24)28/h2-15,17,19-20H,16,18,21-22H2,1H3
• InChIKey: IEHFPUXRVOAYLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-methoxy-4-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
• IUPAC Traditional name: N-({3-methoxy-4-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
• Synonyms: N-{3-methoxy-4-[2-(2-thienyl)ethoxy]benzyl}-N-(2-pyridinylmethyl)-1-naphthamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.1664743
• LogD (pH = 7.4): 6.1839066
• Log P: 6.184134
• Molar Refractivity: 147.2204 cm^3
• Polarizability: 57.6956 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: 5.02
• LOG S: -7.62
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 9