N-cyclopropyl-4-[(2-methylprop-2-en-1-yl)oxy]-N-(1,3-thiazol-2-ylmethyl)benzamide

• ChemBase ID: 420257
• Molecular Formular: C18H20N2O2S
• Molecular Mass: 328.4286
• Monoisotopic Mass: 328.12454889
• SMILES: N(C(=O)c1ccc(OCC(=C)C)cc1)(C1CC1)Cc1nccs1
• Canonical SMILES: CC(=C)COc1ccc(cc1)C(=O)N(C1CC1)Cc1nccs1
• InChI: InChI=1S/C18H20N2O2S/c1-13(2)12-22-16-7-3-14(4-8-16)18(21)20(15-5-6-15)11-17-19-9-10-23-17/h3-4,7-10,15H,1,5-6,11-12H2,2H3
• InChIKey: GFMJVBNNVUFUBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-[(2-methylprop-2-en-1-yl)oxy]-N-(1,3-thiazol-2-ylmethyl)benzamide
• IUPAC Traditional name: N-cyclopropyl-4-[(2-methylprop-2-en-1-yl)oxy]-N-(1,3-thiazol-2-ylmethyl)benzamide
• Synonyms: N-cyclopropyl-4-[(2-methylprop-2-en-1-yl)oxy]-N-(1,3-thiazol-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0099814
• LogD (pH = 7.4): 3.0101726
• Log P: 3.010175
• Molar Refractivity: 91.1969 cm^3
• Polarizability: 34.96982 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.89
• LOG S: -4.06
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7