1-(cyclohexylmethyl)-N-(9H-fluoren-9-yl)-1H-1,2,3-triazole-4-carboxamide

• ChemBase ID: 426148
• Molecular Formular: C23H24N4O
• Molecular Mass: 372.46286
• Monoisotopic Mass: 372.19501141
• SMILES: c1(nnn(c1)CC1CCCCC1)C(=O)NC1c2c(c3c1cccc3)cccc2
• Canonical SMILES: O=C(c1nnn(c1)CC1CCCCC1)NC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C23H24N4O/c28-23(21-15-27(26-25-21)14-16-8-2-1-3-9-16)24-22-19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h4-7,10-13,15-16,22H,1-3,8-9,14H2,(H,24,28)
• InChIKey: ZWSAKELARYKDHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-N-(9H-fluoren-9-yl)-1H-1,2,3-triazole-4-carboxamide
• IUPAC Traditional name: 1-(cyclohexylmethyl)-N-(9H-fluoren-9-yl)-1,2,3-triazole-4-carboxamide
• Synonyms: 1-(cyclohexylmethyl)-N-9H-fluoren-9-yl-1H-1,2,3-triazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.44923
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.777373
• LogD (pH = 7.4): 4.7773695
• Log P: 4.777373
• Molar Refractivity: 120.6401 cm^3
• Polarizability: 42.84514 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.67
• LOG S: -6.33
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 4