4-[(1-acetylpiperidin-4-yl)oxy]-3-methoxy-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]benzamide

• ChemBase ID: 483417
• Molecular Formular: C19H24N4O4S
• Molecular Mass: 404.48326
• Monoisotopic Mass: 404.15182627
• SMILES: n1nc(c(s1)CNC(=O)c1cc(c(OC2CCN(C(=O)C)CC2)cc1)OC)C
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C(=O)C)C(=O)NCc1snnc1C
• InChI: InChI=1S/C19H24N4O4S/c1-12-18(28-22-21-12)11-20-19(25)14-4-5-16(17(10-14)26-3)27-15-6-8-23(9-7-15)13(2)24/h4-5,10,15H,6-9,11H2,1-3H3,(H,20,25)
• InChIKey: FIUILSAZQSXYHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-acetylpiperidin-4-yl)oxy]-3-methoxy-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]benzamide
• IUPAC Traditional name: 4-[(1-acetylpiperidin-4-yl)oxy]-3-methoxy-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]benzamide
• Synonyms: 4-[(1-acetylpiperidin-4-yl)oxy]-3-methoxy-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.395797
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.56293935
• LogD (pH = 7.4): 0.56294036
• Log P: 0.5629404
• Molar Refractivity: 105.968 cm^3
• Polarizability: 39.951748 Å^3
• Polar Surface Area: 93.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.47
• LOG S: -3.4
• Polar Surface Area: 93.65 Å^2
• Rotatable Bonds: 6