N-methyl-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]-N-[1-(pyridin-3-yl)propyl]acetamide

• ChemBase ID: 517535
• Molecular Formular: C17H25N7O2
• Molecular Mass: 359.4261
• Monoisotopic Mass: 359.20697308
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)N(C(c1cnccc1)CC)C
• Canonical SMILES: CCC(N(C(=O)Cn1nnnc1CN1CCOCC1)C)c1cccnc1
• InChI: InChI=1S/C17H25N7O2/c1-3-15(14-5-4-6-18-11-14)22(2)17(25)13-24-16(19-20-21-24)12-23-7-9-26-10-8-23/h4-6,11,15H,3,7-10,12-13H2,1-2H3
• InChIKey: AWXXFYCDEMWQDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]-N-[1-(pyridin-3-yl)propyl]acetamide
• IUPAC Traditional name: N-methyl-2-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]-N-[1-(pyridin-3-yl)propyl]acetamide
• Synonyms: N-methyl-2-[5-(morpholin-4-ylmethyl)-1H-tetrazol-1-yl]-N-(1-pyridin-3-ylpropyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -0.37049824
• LogD (pH = 7.4): -0.28807938
• Log P: -0.28693458
• Molar Refractivity: 109.5775 cm^3
• Polarizability: 37.08083 Å^3
• Polar Surface Area: 89.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.33
• LOG S: -1.55
• Polar Surface Area: 89.27 Å^2
• Rotatable Bonds: 7