1-[3-(difluoromethoxy)benzoyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 609554
• Molecular Formular: C19H23F2N3O3
• Molecular Mass: 379.4010264
• Monoisotopic Mass: 379.17074805
• SMILES: c1(C2CN(C(=O)c3cc(OC(F)F)ccc3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1cccc(c1)OC(F)F
• InChI: InChI=1S/C19H23F2N3O3/c1-26-11-10-23-9-7-22-17(23)15-5-3-8-24(13-15)18(25)14-4-2-6-16(12-14)27-19(20)21/h2,4,6-7,9,12,15,19H,3,5,8,10-11,13H2,1H3
• InChIKey: XTGNTNYVIJLBQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(difluoromethoxy)benzoyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 1-[3-(difluoromethoxy)benzoyl]-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine
• Synonyms: 1-[3-(difluoromethoxy)benzoyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9886276
• LogD (pH = 7.4): 2.6194093
• Log P: 2.6472301
• Molar Refractivity: 96.3798 cm^3
• Polarizability: 36.232555 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.38
• LOG S: -3.15
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 7