4-{2-[2-(5-phenylthiophen-2-yl)-1H-imidazol-1-yl]ethyl}morpholine

• ChemBase ID: 510569
• Molecular Formular: C19H21N3OS
• Molecular Mass: 339.45454
• Monoisotopic Mass: 339.14053331
• SMILES: c1(c2n(ccn2)CCN2CCOCC2)sc(cc1)c1ccccc1
• Canonical SMILES: O1CCN(CC1)CCn1ccnc1c1ccc(s1)c1ccccc1
• InChI: InChI=1S/C19H21N3OS/c1-2-4-16(5-3-1)17-6-7-18(24-17)19-20-8-9-22(19)11-10-21-12-14-23-15-13-21/h1-9H,10-15H2
• InChIKey: BSTIAXDMYGLSIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[2-(5-phenylthiophen-2-yl)-1H-imidazol-1-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[2-(5-phenylthiophen-2-yl)imidazol-1-yl]ethyl}morpholine
• Synonyms: 4-{2-[2-(5-phenyl-2-thienyl)-1H-imidazol-1-yl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9572448
• LogD (pH = 7.4): 3.2388146
• Log P: 3.3244457
• Molar Refractivity: 107.9149 cm^3
• Polarizability: 39.51775 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.77
• LOG S: -3.03
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5