N-(3,4-dimethoxyphenyl)-1-(4-ethyl-1,2,3-thiadiazole-5-carbonyl)piperidin-3-amine

• ChemBase ID: 539220
• Molecular Formular: C18H24N4O3S
• Molecular Mass: 376.47316
• Monoisotopic Mass: 376.15691165
• SMILES: c1(C(=O)N2CC(Nc3cc(c(cc3)OC)OC)CCC2)c(nns1)CC
• Canonical SMILES: COc1cc(ccc1OC)NC1CCCN(C1)C(=O)c1snnc1CC
• InChI: InChI=1S/C18H24N4O3S/c1-4-14-17(26-21-20-14)18(23)22-9-5-6-13(11-22)19-12-7-8-15(24-2)16(10-12)25-3/h7-8,10,13,19H,4-6,9,11H2,1-3H3
• InChIKey: PLZOTRPYPNAWQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethoxyphenyl)-1-(4-ethyl-1,2,3-thiadiazole-5-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(3,4-dimethoxyphenyl)-1-(4-ethyl-1,2,3-thiadiazole-5-carbonyl)piperidin-3-amine
• Synonyms: N-(3,4-dimethoxyphenyl)-1-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.065595
• LogD (pH = 7.4): 2.2461739
• Log P: 2.2490423
• Molar Refractivity: 102.6507 cm^3
• Polarizability: 38.024364 Å^3
• Polar Surface Area: 76.58 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: 1.12
• LOG S: -2.9
• Polar Surface Area: 76.58 Å^2
• Rotatable Bonds: 6