N-ethyl-2-[4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide

• ChemBase ID: 573174
• Molecular Formular: C21H23N5O
• Molecular Mass: 361.44022
• Monoisotopic Mass: 361.19026038
• SMILES: n1(nnnc1C)c1ccc(CC(=O)N(C/C=C/c2ccccc2)CC)cc1
• Canonical SMILES: CCN(C(=O)Cc1ccc(cc1)n1nnnc1C)C/C=C/c1ccccc1
• InChI: InChI=1S/C21H23N5O/c1-3-25(15-7-10-18-8-5-4-6-9-18)21(27)16-19-11-13-20(14-12-19)26-17(2)22-23-24-26/h4-14H,3,15-16H2,1-2H3/b10-7+
• InChIKey: LVAWGRRCTRZDEJ-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-[4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide
• IUPAC Traditional name: N-ethyl-2-[4-(5-methyl-1,2,3,4-tetrazol-1-yl)phenyl]-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide
• Synonyms: N-ethyl-2-[4-(5-methyl-1H-tetrazol-1-yl)phenyl]-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.103089
• LogD (pH = 7.4): 3.1030893
• Log P: 3.1030893
• Molar Refractivity: 110.0366 cm^3
• Polarizability: 40.951252 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.78
• LOG S: -4.21
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 7