N-cyclopropyl-3-ethoxy-4-(prop-2-en-1-yloxy)-N-(1,3-thiazol-5-ylmethyl)benzamide

• ChemBase ID: 603275
• Molecular Formular: C19H22N2O3S
• Molecular Mass: 358.45458
• Monoisotopic Mass: 358.13511357
• SMILES: C(=O)(N(C1CC1)Cc1scnc1)c1cc(c(cc1)OCC=C)OCC
• Canonical SMILES: C=CCOc1ccc(cc1OCC)C(=O)N(C1CC1)Cc1cncs1
• InChI: InChI=1S/C19H22N2O3S/c1-3-9-24-17-8-5-14(10-18(17)23-4-2)19(22)21(15-6-7-15)12-16-11-20-13-25-16/h3,5,8,10-11,13,15H,1,4,6-7,9,12H2,2H3
• InChIKey: LOAMTMOBQLOHRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-ethoxy-4-(prop-2-en-1-yloxy)-N-(1,3-thiazol-5-ylmethyl)benzamide
• IUPAC Traditional name: N-cyclopropyl-3-ethoxy-4-(prop-2-en-1-yloxy)-N-(1,3-thiazol-5-ylmethyl)benzamide
• Synonyms: 4-(allyloxy)-N-cyclopropyl-3-ethoxy-N-(1,3-thiazol-5-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.025152
• LogD (pH = 7.4): 3.0252225
• Log P: 3.0252233
• Molar Refractivity: 98.5838 cm^3
• Polarizability: 37.50175 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.69
• LOG S: -4.11
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 9