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

• ChemBase ID: 470456
• Molecular Formular: C20H24N4O3S
• Molecular Mass: 400.49456
• Monoisotopic Mass: 400.15691165
• SMILES: n1nc(c(s1)CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)C
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)NCc1snnc1C)C1CC1
• InChI: InChI=1S/C20H24N4O3S/c1-13-18(28-23-22-13)12-21-19(25)14-4-6-16(7-5-14)27-17-8-10-24(11-9-17)20(26)15-2-3-15/h4-7,15,17H,2-3,8-12H2,1H3,(H,21,25)
• InChIKey: LQKOIWOEVDDOEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)piperidin-4-yl]oxy}-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.749041
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5004066
• LogD (pH = 7.4): 1.5004079
• Log P: 1.5004079
• Molar Refractivity: 106.904 cm^3
• Polarizability: 40.349636 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: 2.29
• LOG S: -4.08
• Polar Surface Area: 84.42 Å^2
• Rotatable Bonds: 6