5-(2,6-dimethoxyphenyl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methyl-1,2,4-triazin-3-amine

• ChemBase ID: 620350
• Molecular Formular: C24H28N4O2
• Molecular Mass: 404.50472
• Monoisotopic Mass: 404.22122616
• SMILES: C1(C(C1)(C)C)(CN(c1nc(c2c(OC)cccc2OC)cnn1)C)c1ccccc1
• Canonical SMILES: COc1cccc(c1c1cnnc(n1)N(CC1(CC1(C)C)c1ccccc1)C)OC
• InChI: InChI=1S/C24H28N4O2/c1-23(2)15-24(23,17-10-7-6-8-11-17)16-28(3)22-26-18(14-25-27-22)21-19(29-4)12-9-13-20(21)30-5/h6-14H,15-16H2,1-5H3
• InChIKey: WDOWHHGLRUGYAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,6-dimethoxyphenyl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methyl-1,2,4-triazin-3-amine
• IUPAC Traditional name: 5-(2,6-dimethoxyphenyl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methyl-1,2,4-triazin-3-amine
• Synonyms: 5-(2,6-dimethoxyphenyl)-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methyl-1,2,4-triazin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.4539614
• LogD (pH = 7.4): 4.4539766
• Log P: 4.4539766
• Molar Refractivity: 120.1096 cm^3
• Polarizability: 46.487362 Å^3
• Polar Surface Area: 60.37 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: 4.76
• LOG S: -5.14
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 5