N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(naphthalen-2-yloxy)propanamide

• ChemBase ID: 519295
• Molecular Formular: C19H20N2O2S
• Molecular Mass: 340.4393
• Monoisotopic Mass: 340.12454889
• SMILES: n1c(csc1C)CN(C(=O)C(Oc1cc2c(cc1)cccc2)C)C
• Canonical SMILES: O=C(N(Cc1csc(n1)C)C)C(Oc1ccc2c(c1)cccc2)C
• InChI: InChI=1S/C19H20N2O2S/c1-13(19(22)21(3)11-17-12-24-14(2)20-17)23-18-9-8-15-6-4-5-7-16(15)10-18/h4-10,12-13H,11H2,1-3H3
• InChIKey: XGSMNAWXAQYYTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(naphthalen-2-yloxy)propanamide
• IUPAC Traditional name: N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(naphthalen-2-yloxy)propanamide
• Synonyms: N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-naphthyloxy)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.264719
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0790284
• LogD (pH = 7.4): 3.0799985
• Log P: 3.080011
• Molar Refractivity: 94.905 cm^3
• Polarizability: 38.046825 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: 2.9
• LOG S: -4.16
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5