N-benzyl-N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide

• ChemBase ID: 478375
• Molecular Formular: C20H28N6O2
• Molecular Mass: 384.47532
• Monoisotopic Mass: 384.22737417
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)N(Cc1ccccc1)CC1CCC1
• Canonical SMILES: O=C(N(Cc1ccccc1)CC1CCC1)Cn1nnnc1CN1CCOCC1
• InChI: InChI=1S/C20H28N6O2/c27-20(16-26-19(21-22-23-26)15-24-9-11-28-12-10-24)25(14-18-7-4-8-18)13-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2
• InChIKey: GGEZVFVKJDJJEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide
• IUPAC Traditional name: N-benzyl-N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]acetamide
• Synonyms: N-benzyl-N-(cyclobutylmethyl)-2-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.2018379
• LogD (pH = 7.4): 1.2165949
• Log P: 1.2167864
• Molar Refractivity: 119.3346 cm^3
• Polarizability: 40.908062 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.93
• LOG S: -0.44
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 8