N-(furan-2-ylmethyl)-2-[4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]-N-(3-methylbutan-2-yl)acetamide

• ChemBase ID: 591546
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: n1(nnnc1C)c1ccc(CC(=O)N(C(C(C)C)C)Cc2occc2)cc1
• Canonical SMILES: CC(C(N(C(=O)Cc1ccc(cc1)n1nnnc1C)Cc1ccco1)C)C
• InChI: InChI=1S/C20H25N5O2/c1-14(2)15(3)24(13-19-6-5-11-27-19)20(26)12-17-7-9-18(10-8-17)25-16(4)21-22-23-25/h5-11,14-15H,12-13H2,1-4H3
• InChIKey: GLVRKIBHRXBSMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-[4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]-N-(3-methylbutan-2-yl)acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-[4-(5-methyl-1,2,3,4-tetrazol-1-yl)phenyl]-N-(3-methylbutan-2-yl)acetamide
• Synonyms: N-(1,2-dimethylpropyl)-N-(2-furylmethyl)-2-[4-(5-methyl-1H-tetrazol-1-yl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8574903
• LogD (pH = 7.4): 2.8574905
• Log P: 2.8574905
• Molar Refractivity: 105.5233 cm^3
• Polarizability: 39.814854 Å^3
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.5
• LOG S: -4.02
• Polar Surface Area: 77.05 Å^2
• Rotatable Bonds: 7