1-[1-(diphenylmethyl)-1H-1,2,3-triazole-4-carbonyl]-3-(methoxymethyl)piperidine

• ChemBase ID: 370325
• Molecular Formular: C23H26N4O2
• Molecular Mass: 390.47814
• Monoisotopic Mass: 390.20557609
• SMILES: c1(nnn(c1)C(c1ccccc1)c1ccccc1)C(=O)N1CC(COC)CCC1
• Canonical SMILES: COCC1CCCN(C1)C(=O)c1nnn(c1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H26N4O2/c1-29-17-18-9-8-14-26(15-18)23(28)21-16-27(25-24-21)22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,16,18,22H,8-9,14-15,17H2,1H3
• InChIKey: AGZNNQOZLXMTOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(diphenylmethyl)-1H-1,2,3-triazole-4-carbonyl]-3-(methoxymethyl)piperidine
• IUPAC Traditional name: 1-[1-(diphenylmethyl)-1,2,3-triazole-4-carbonyl]-3-(methoxymethyl)piperidine
• Synonyms: 1-{[1-(diphenylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-3-(methoxymethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6761296
• LogD (pH = 7.4): 3.6761296
• Log P: 3.6761296
• Molar Refractivity: 123.9083 cm^3
• Polarizability: 42.89685 Å^3
• Polar Surface Area: 60.25 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: 1.81
• LOG S: -5.21
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 5