(4R)-4-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]-3-methyl-1,3-thiazolidine

• ChemBase ID: 453829
• Molecular Formular: C15H20N2O3S
• Molecular Mass: 308.3959
• Monoisotopic Mass: 308.11946351
• SMILES: N1(C(=O)[C@H]2N(CSC2)C)CC(C1)Oc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OC1CN(C1)C(=O)[C@@H]1CSCN1C
• InChI: InChI=1S/C15H20N2O3S/c1-16-10-21-9-14(16)15(18)17-7-13(8-17)20-12-5-3-4-11(6-12)19-2/h3-6,13-14H,7-10H2,1-2H3/t14-/m0/s1
• InChIKey: QHAKFUSLXLWVKX-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-4-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]-3-methyl-1,3-thiazolidine
• IUPAC Traditional name: (4R)-4-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]-3-methyl-1,3-thiazolidine
• Synonyms: (4R)-4-{[3-(3-methoxyphenoxy)-1-azetidinyl]carbonyl}-3-methyl-1,3-thiazolidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0114198
• LogD (pH = 7.4): 1.1590918
• Log P: 1.1613404
• Molar Refractivity: 82.451 cm^3
• Polarizability: 32.610558 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.1
• LOG S: -2.39
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4