N-methyl-3-(2-methylphenyl)-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide

• ChemBase ID: 404102
• Molecular Formular: C21H22N2OS
• Molecular Mass: 350.47718
• Monoisotopic Mass: 350.14528433
• SMILES: C(=O)(CC(c1c(C)cccc1)c1ccccc1)N(Cc1nccs1)C
• Canonical SMILES: O=C(N(Cc1nccs1)C)CC(c1ccccc1C)c1ccccc1
• InChI: InChI=1S/C21H22N2OS/c1-16-8-6-7-11-18(16)19(17-9-4-3-5-10-17)14-21(24)23(2)15-20-22-12-13-25-20/h3-13,19H,14-15H2,1-2H3
• InChIKey: MTLFEZRKJQCOLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(2-methylphenyl)-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
• IUPAC Traditional name: N-methyl-3-(2-methylphenyl)-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
• Synonyms: N-methyl-3-(2-methylphenyl)-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0864553
• LogD (pH = 7.4): 4.0866466
• Log P: 4.086649
• Molar Refractivity: 102.415 cm^3
• Polarizability: 39.473045 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.29
• LOG S: -4.56
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 6