N-methyl-1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide

• ChemBase ID: 792695
• Molecular Formular: C23H22N4O
• Molecular Mass: 370.44698
• Monoisotopic Mass: 370.17936134
• SMILES: c1(nnn(c1)Cc1c2c(ccc1)cccc2)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: O=C(c1nnn(c1)Cc1cccc2c1cccc2)N(CCc1ccccc1)C
• InChI: InChI=1S/C23H22N4O/c1-26(15-14-18-8-3-2-4-9-18)23(28)22-17-27(25-24-22)16-20-12-7-11-19-10-5-6-13-21(19)20/h2-13,17H,14-16H2,1H3
• InChIKey: PHYIUFXTCGYDOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
• IUPAC Traditional name: N-methyl-1-(naphthalen-1-ylmethyl)-N-(2-phenylethyl)-1,2,3-triazole-4-carboxamide
• Synonyms: N-methyl-1-(1-naphthylmethyl)-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.4311566
• LogD (pH = 7.4): 4.431157
• Log P: 4.431157
• Molar Refractivity: 122.2486 cm^3
• Polarizability: 43.11308 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.03
• LOG S: -4.49
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 6