3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide

• ChemBase ID: 323491
• Molecular Formular: C20H19ClN2OS
• Molecular Mass: 370.89566
• Monoisotopic Mass: 370.09066192
• SMILES: C(=O)(CC(c1ccc(cc1)Cl)c1ccccc1)N(Cc1nccs1)C
• Canonical SMILES: Clc1ccc(cc1)C(c1ccccc1)CC(=O)N(Cc1nccs1)C
• InChI: InChI=1S/C20H19ClN2OS/c1-23(14-19-22-11-12-25-19)20(24)13-18(15-5-3-2-4-6-15)16-7-9-17(21)10-8-16/h2-12,18H,13-14H2,1H3
• InChIKey: XUCLCLZKRXFTQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
• IUPAC Traditional name: 3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
• Synonyms: 3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1770787
• LogD (pH = 7.4): 4.17727
• Log P: 4.1772723
• Molar Refractivity: 102.1786 cm^3
• Polarizability: 39.56395 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: 3.56
• LOG S: -4.97
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 6