N-methyl-2-(morpholin-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

• ChemBase ID: 574170
• Molecular Formular: C17H21N3O2S
• Molecular Mass: 331.43254
• Monoisotopic Mass: 331.13544793
• SMILES: C(=O)(c1c(N2CCOCC2)cccc1)N(C(c1nccs1)C)C
• Canonical SMILES: CN(C(=O)c1ccccc1N1CCOCC1)C(c1nccs1)C
• InChI: InChI=1S/C17H21N3O2S/c1-13(16-18-7-12-23-16)19(2)17(21)14-5-3-4-6-15(14)20-8-10-22-11-9-20/h3-7,12-13H,8-11H2,1-2H3
• InChIKey: GZSDPSBTVCBCFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(morpholin-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
• IUPAC Traditional name: N-methyl-2-(morpholin-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
• Synonyms: N-methyl-2-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1858108
• LogD (pH = 7.4): 2.185976
• Log P: 2.1859782
• Molar Refractivity: 92.0748 cm^3
• Polarizability: 34.543755 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.58
• LOG S: -2.96
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4