ChemSpider 2D Image | KT203 | C28H26N4O3

KT203

  • Molecular FormulaC28H26N4O3
  • Average mass466.531 Da
  • Monoisotopic mass466.200500 Da
  • ChemSpider ID34253280

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[1,1'-Biphenyl]-3-carboxylic acid, 4'-[1-[[2-(phenylmethyl)-1-piperidinyl]carbonyl]-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]
1402612-64-9 [RN]
4'-[1-(2-benzylpiperidine-1-carbonyl)-1H-1,2,3-triazol-4-yl]-[1,1'-biphenyl]-3-carboxylic acid
4'-[1-[[2-(phenylmethyl)-1-piperidinyl]carbonyl]-1H-1,2,3-triazol-4-yl]-[1,1'-biphenyl]-3-carboxylic acid
4'-{1-[(2-Benzyl-1-piperidinyl)carbonyl]-1H-1,2,3-triazol-4-yl}-3-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-{1-[(2-Benzyl-1-piperidinyl)carbonyl]-1H-1,2,3-triazol-4-yl}-3-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 4'-{1-[(2-benzyl-1-pipéridinyl)carbonyl]-1H-1,2,3-triazol-4-yl}-3-biphénylcarboxylique [French] [ACD/IUPAC Name]
KT203
MFCD28118915
3-[4-[1-(2-Benzylpiperidine-1-carbonyl)triazol-4-yl]phenyl]benzoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 724.3±62.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.9±33.4 °C
Index of Refraction: 1.669
Molar Refractivity: 135.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 138.22
ACD/KOC (pH 5.5): 453.14
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 4.64
ACD/KOC (pH 7.4): 15.23
Polar Surface Area: 88 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 363.1±7.0 cm3

Click to predict properties on the Chemicalize site


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