4-(benzyloxy)-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]piperidine

• ChemBase ID: 569828
• Molecular Formular: C17H24N2O2S
• Molecular Mass: 320.44966
• Monoisotopic Mass: 320.15584902
• SMILES: C(=O)([C@H]1N(CSC1)C)N1CCC(CC1)OCc1ccccc1
• Canonical SMILES: CN1CSC[C@H]1C(=O)N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C17H24N2O2S/c1-18-13-22-12-16(18)17(20)19-9-7-15(8-10-19)21-11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3/t16-/m0/s1
• InChIKey: ODIQIMUQPFTDSH-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]piperidine
• IUPAC Traditional name: 4-(benzyloxy)-1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]piperidine
• Synonyms: 4-(benzyloxy)-1-{[(4R)-3-methyl-1,3-thiazolidin-4-yl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2630506
• LogD (pH = 7.4): 1.4690056
• Log P: 1.4723791
• Molar Refractivity: 90.8225 cm^3
• Polarizability: 35.61657 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.25
• LOG S: -3.46
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4