N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-{[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 372642
• Molecular Formular: C23H24N4O3S
• Molecular Mass: 436.52666
• Monoisotopic Mass: 436.15691165
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NCc2nc(sc2)C)cc1)c1cnccc1
• Canonical SMILES: Cc1scc(n1)CNC(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)c1cccnc1
• InChI: InChI=1S/C23H24N4O3S/c1-16-26-19(15-31-16)14-25-22(28)17-4-6-20(7-5-17)30-21-8-11-27(12-9-21)23(29)18-3-2-10-24-13-18/h2-7,10,13,15,21H,8-9,11-12,14H2,1H3,(H,25,28)
• InChIKey: LPDLZEWDCCWGDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-{[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-{[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-{[1-(3-pyridinylcarbonyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.836878
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3619562
• LogD (pH = 7.4): 1.3678206
• Log P: 1.367896
• Molar Refractivity: 118.4717 cm^3
• Polarizability: 44.848232 Å^3
• Polar Surface Area: 84.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.25
• LOG S: -5.83
• Polar Surface Area: 84.42 Å^2
• Rotatable Bonds: 6