1-cyclohexyl-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methyl-1H-1,2,3-triazole-4-carboxamide

• ChemBase ID: 357507
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: C1(C(C1)(C)C)(CN(C(=O)c1nnn(c1)C1CCCCC1)C)c1ccccc1
• Canonical SMILES: CN(C(=O)c1nnn(c1)C1CCCCC1)CC1(CC1(C)C)c1ccccc1
• InChI: InChI=1S/C22H30N4O/c1-21(2)15-22(21,17-10-6-4-7-11-17)16-25(3)20(27)19-14-26(24-23-19)18-12-8-5-9-13-18/h4,6-7,10-11,14,18H,5,8-9,12-13,15-16H2,1-3H3
• InChIKey: PTXQHTUFTRDICF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methyl-1H-1,2,3-triazole-4-carboxamide
• IUPAC Traditional name: 1-cyclohexyl-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methyl-1,2,3-triazole-4-carboxamide
• Synonyms: 1-cyclohexyl-N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methyl-1H-1,2,3-triazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3827915
• LogD (pH = 7.4): 4.3827915
• Log P: 4.3827915
• Molar Refractivity: 118.2912 cm^3
• Polarizability: 41.096657 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: 4.25
• LOG S: -5.14
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5