N-cycloheptyl-4-{5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}butanamide

• ChemBase ID: 831927
• Molecular Formular: C19H34N6O
• Molecular Mass: 362.51286
• Monoisotopic Mass: 362.27940974
• SMILES: c1(n(nnn1)CCCC(=O)NC1CCCCCC1)CN1CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)Cc1nnnn1CCCC(=O)NC1CCCCCC1
• InChI: InChI=1S/C19H34N6O/c1-16-10-13-24(14-11-16)15-18-21-22-23-25(18)12-6-9-19(26)20-17-7-4-2-3-5-8-17/h16-17H,2-15H2,1H3,(H,20,26)
• InChIKey: HFBQVJFXNDHMKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cycloheptyl-4-{5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}butanamide
• IUPAC Traditional name: N-cycloheptyl-4-{5-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrazol-1-yl}butanamide
• Synonyms: N-cycloheptyl-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.441214
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.7329898
• LogD (pH = 7.4): 2.043858
• Log P: 2.16889
• Molar Refractivity: 115.968 cm^3
• Polarizability: 39.82264 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.01
• LOG S: -3.49
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 7