N-methyl-1-[(2E)-3-phenylprop-2-en-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,2,3-triazole-4-carboxamide

• ChemBase ID: 405126
• Molecular Formular: C23H24N4O
• Molecular Mass: 372.46286
• Monoisotopic Mass: 372.19501141
• SMILES: c1(nnn(c1)C/C=C/c1ccccc1)C(=O)N(C1c2c(CCC1)cccc2)C
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)c1nnn(c1)C/C=C/c1ccccc1
• InChI: InChI=1S/C23H24N4O/c1-26(22-15-7-13-19-12-5-6-14-20(19)22)23(28)21-17-27(25-24-21)16-8-11-18-9-3-2-4-10-18/h2-6,8-12,14,17,22H,7,13,15-16H2,1H3/b11-8+
• InChIKey: QTZVUVMZIOMCHE-DHZHZOJOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-[(2E)-3-phenylprop-2-en-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,2,3-triazole-4-carboxamide
• IUPAC Traditional name: N-methyl-1-[(2E)-3-phenylprop-2-en-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3-triazole-4-carboxamide
• Synonyms: N-methyl-1-[(2E)-3-phenyl-2-propen-1-yl]-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-1H-1,2,3-triazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7517276
• LogD (pH = 7.4): 4.7517276
• Log P: 4.7517276
• Molar Refractivity: 123.5438 cm^3
• Polarizability: 42.05186 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.92
• LOG S: -5.81
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5