N-{[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)-2-(thiophen-3-yl)acetamide

• ChemBase ID: 690557
• Molecular Formular: C24H26N2O4S
• Molecular Mass: 438.53924
• Monoisotopic Mass: 438.16132832
• SMILES: C(=O)(N(Cc1cnccc1)Cc1cc(c(OC2CCOC2)cc1)OC)Cc1cscc1
• Canonical SMILES: COc1cc(ccc1OC1COCC1)CN(C(=O)Cc1cscc1)Cc1cccnc1
• InChI: InChI=1S/C24H26N2O4S/c1-28-23-11-18(4-5-22(23)30-21-6-9-29-16-21)14-26(15-20-3-2-8-25-13-20)24(27)12-19-7-10-31-17-19/h2-5,7-8,10-11,13,17,21H,6,9,12,14-16H2,1H3
• InChIKey: IBSMVPOTRMGODE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)-2-(thiophen-3-yl)acetamide
• IUPAC Traditional name: N-{[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)-2-(thiophen-3-yl)acetamide
• Synonyms: N-[3-methoxy-4-(tetrahydro-3-furanyloxy)benzyl]-N-(3-pyridinylmethyl)-2-(3-thienyl)acetamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.776741
• LogD (pH = 7.4): 2.8479939
• Log P: 2.8490033
• Molar Refractivity: 119.6918 cm^3
• Polarizability: 46.36938 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 8
• H Acceptors: 5
• H Donor: 0
• Log P: 1.65
• LOG S: -3.81