4-(4-methoxyphenoxy)-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine

• ChemBase ID: 497981
• Molecular Formular: C19H24N2O3S
• Molecular Mass: 360.47046
• Monoisotopic Mass: 360.15076364
• SMILES: c1(nc(sc1)CCC)C(=O)N1CCC(CC1)Oc1ccc(cc1)OC
• Canonical SMILES: CCCc1scc(n1)C(=O)N1CCC(CC1)Oc1ccc(cc1)OC
• InChI: InChI=1S/C19H24N2O3S/c1-3-4-18-20-17(13-25-18)19(22)21-11-9-16(10-12-21)24-15-7-5-14(23-2)6-8-15/h5-8,13,16H,3-4,9-12H2,1-2H3
• InChIKey: HFDINFCDJUNYEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenoxy)-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine
• IUPAC Traditional name: 4-(4-methoxyphenoxy)-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine
• Synonyms: 4-(4-methoxyphenoxy)-1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0785882
• LogD (pH = 7.4): 3.0785904
• Log P: 3.0785906
• Molar Refractivity: 97.8822 cm^3
• Polarizability: 37.682545 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.54
• LOG S: -4.0
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 6