N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1H-1,2,3,4-tetrazol-1-yl)acetamide

• ChemBase ID: 760386
• Molecular Formular: C14H18N6O2
• Molecular Mass: 302.33172
• Monoisotopic Mass: 302.14912385
• SMILES: n1(nnnc1)CC(=O)N(Cc1ncccc1)CC1OCCC1
• Canonical SMILES: O=C(N(Cc1ccccn1)CC1CCCO1)Cn1cnnn1
• InChI: InChI=1S/C14H18N6O2/c21-14(10-20-11-16-17-18-20)19(9-13-5-3-7-22-13)8-12-4-1-2-6-15-12/h1-2,4,6,11,13H,3,5,7-10H2
• InChIKey: HOVRJPQUBSTUNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1H-1,2,3,4-tetrazol-1-yl)acetamide
• IUPAC Traditional name: N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,4-tetrazol-1-yl)acetamide
• Synonyms: N-(pyridin-2-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)-2-(1H-tetrazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.5397176
• LogD (pH = 7.4): -0.5222614
• Log P: -0.5220339
• Molar Refractivity: 91.423 cm^3
• Polarizability: 30.059494 Å^3
• Polar Surface Area: 86.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.37
• LOG S: -0.42
• Polar Surface Area: 86.03 Å^2
• Rotatable Bonds: 6