N-benzyl-3-ethoxy-N-(1,3-thiazol-2-ylmethyl)propanamide

• ChemBase ID: 739572
• Molecular Formular: C16H20N2O2S
• Molecular Mass: 304.4072
• Monoisotopic Mass: 304.12454889
• SMILES: N(C(=O)CCOCC)(Cc1nccs1)Cc1ccccc1
• Canonical SMILES: CCOCCC(=O)N(Cc1nccs1)Cc1ccccc1
• InChI: InChI=1S/C16H20N2O2S/c1-2-20-10-8-16(19)18(13-15-17-9-11-21-15)12-14-6-4-3-5-7-14/h3-7,9,11H,2,8,10,12-13H2,1H3
• InChIKey: UAMHTRNITOPKOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-ethoxy-N-(1,3-thiazol-2-ylmethyl)propanamide
• IUPAC Traditional name: N-benzyl-3-ethoxy-N-(1,3-thiazol-2-ylmethyl)propanamide
• Synonyms: N-benzyl-3-ethoxy-N-(1,3-thiazol-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.017475
• LogD (pH = 7.4): 2.017666
• Log P: 2.0176685
• Molar Refractivity: 83.9213 cm^3
• Polarizability: 32.49034 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.85
• LOG S: -3.0
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8