N-methyl-3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

• ChemBase ID: 860165
• Molecular Formular: C19H18N2O2S
• Molecular Mass: 338.42342
• Monoisotopic Mass: 338.10889883
• SMILES: C(=O)(N(C(c1nccs1)C)C)c1cc(Oc2ccccc2)ccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)Oc1ccccc1)C(c1nccs1)C
• InChI: InChI=1S/C19H18N2O2S/c1-14(18-20-11-12-24-18)21(2)19(22)15-7-6-10-17(13-15)23-16-8-4-3-5-9-16/h3-14H,1-2H3
• InChIKey: MYVJFGJWIXEGES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
• IUPAC Traditional name: N-methyl-3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
• Synonyms: N-methyl-3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7965548
• LogD (pH = 7.4): 3.79672
• Log P: 3.796722
• Molar Refractivity: 94.8125 cm^3
• Polarizability: 36.378216 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.8
• LOG S: -4.91
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5