4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperidine

• ChemBase ID: 692303
• Molecular Formular: C18H23N7O
• Molecular Mass: 353.42152
• Monoisotopic Mass: 353.19640839
• SMILES: c1(n(nnn1)c1ccccc1)N1CCC(c2n(ccn2)CCOC)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)c1nnnn1c1ccccc1
• InChI: InChI=1S/C18H23N7O/c1-26-14-13-23-12-9-19-17(23)15-7-10-24(11-8-15)18-20-21-22-25(18)16-5-3-2-4-6-16/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
• InChIKey: QNKYEZOVHSFZPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperidine
• IUPAC Traditional name: 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperidine
• Synonyms: 4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(1-phenyl-1H-tetrazol-5-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.3027294
• LogD (pH = 7.4): 2.1207705
• Log P: 2.2539616
• Molar Refractivity: 102.0267 cm^3
• Polarizability: 37.742546 Å^3
• Polar Surface Area: 73.89 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.1
• LOG S: -2.72
• Polar Surface Area: 73.89 Å^2
• Rotatable Bonds: 6