Found 1 result

Search term: MYZIDYJMNWEJMC-QHCPKHFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{4-[(R)-(3,3-Dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]-3-pyridinyl}amino)methyl]benzoyl}-beta-alanine | C26H28F3N5O3

N-{4-[(R)-(3,3-Dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]-3-pyridinyl}amino)methyl]benzoyl}-β-alanine

  • Molecular FormulaC26H28F3N5O3
  • Average mass515.527 Da
  • Monoisotopic mass515.214417 Da
  • ChemSpider ID34450722

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-{4-[(R)-(3,3-Dimethylcyclobutyl)({6-[4-(trifluormethyl)-1H-imidazol-1-yl]-3-pyridinyl}amino)methyl]benzoyl}-β-alanin [German] [ACD/IUPAC Name]
N-{4-[(R)-(3,3-Dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]-3-pyridinyl}amino)methyl]benzoyl}-β-alanine [ACD/IUPAC Name]
N-{4-[(R)-(3,3-Diméthylcyclobutyl)({6-[4-(trifluorométhyl)-1H-imidazol-1-yl]-3-pyridinyl}amino)méthyl]benzoyl}-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[4-[(R)-(3,3-dimethylcyclobutyl)[[6-[4-(trifluoromethyl)-1H-imidazol-1-yl]-3-pyridinyl]amino]methyl]benzoyl]- [ACD/Index Name]
1407592-99-7 [RN]
3-[[4-[(R)-(3,3-dimethylcyclobutyl)-[[6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-yl]amino]methyl]benzoyl]amino]propanoic acid
97Y
N-{4-[(R)-(3,3-Dimethylcyclobutyl)({6-[4-(Trifluoromethyl)-1h-Imidazol-1-Yl]pyridin-3-Yl}amino)methyl]benzene-1-Carbonyl}-β-Alanine
PF-06372222
US8507533, 134

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 710.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.5±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 131.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 2.47
ACD/KOC (pH 5.5): 27.90
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 375.7±7.0 cm3

Click to predict properties on the Chemicalize site


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