N-cyclopropyl-4-methoxy-2-{[1-(1,3-thiazol-2-yl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 385298
• Molecular Formular: C19H23N3O3S
• Molecular Mass: 373.46922
• Monoisotopic Mass: 373.14601261
• SMILES: c1(C(=O)NC2CC2)c(cc(cc1)OC)OC1CCN(c2nccs2)CC1
• Canonical SMILES: COc1ccc(c(c1)OC1CCN(CC1)c1nccs1)C(=O)NC1CC1
• InChI: InChI=1S/C19H23N3O3S/c1-24-15-4-5-16(18(23)21-13-2-3-13)17(12-15)25-14-6-9-22(10-7-14)19-20-8-11-26-19/h4-5,8,11-14H,2-3,6-7,9-10H2,1H3,(H,21,23)
• InChIKey: IOQWEROFRDYFIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-methoxy-2-{[1-(1,3-thiazol-2-yl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-cyclopropyl-4-methoxy-2-{[1-(1,3-thiazol-2-yl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-cyclopropyl-4-methoxy-2-{[1-(1,3-thiazol-2-yl)piperidin-4-yl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.335771
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.456958
• LogD (pH = 7.4): 2.4587307
• Log P: 2.4587533
• Molar Refractivity: 100.802 cm^3
• Polarizability: 38.175365 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.45
• LOG S: -3.16
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 6