4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2-methoxypyridine

• ChemBase ID: 317737
• Molecular Formular: C18H20N2O3
• Molecular Mass: 312.363
• Monoisotopic Mass: 312.14739251
• SMILES: N1(C(=O)c2cc(ncc2)OC)CC(C1)Oc1c(CC)cccc1
• Canonical SMILES: CCc1ccccc1OC1CN(C1)C(=O)c1ccnc(c1)OC
• InChI: InChI=1S/C18H20N2O3/c1-3-13-6-4-5-7-16(13)23-15-11-20(12-15)18(21)14-8-9-19-17(10-14)22-2/h4-10,15H,3,11-12H2,1-2H3
• InChIKey: OBVPGRYNYYYLMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2-methoxypyridine
• IUPAC Traditional name: 4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2-methoxypyridine
• Synonyms: 4-{[3-(2-ethylphenoxy)-1-azetidinyl]carbonyl}-2-methoxypyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.980609
• LogD (pH = 7.4): 2.9806335
• Log P: 2.980634
• Molar Refractivity: 87.4452 cm^3
• Polarizability: 33.461494 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.7
• LOG S: -3.78
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 5