ChemSpider 2D Image | 2-Methyl-2-propanyl 6-{6-[2-fluoro-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenoxy]-5-methyl-4-pyrimidinyl}-2,6-diazatricyclo[3.3.1.1~3,7~]decane-2-carboxylate | C27H32FN7O3

2-Methyl-2-propanyl 6-{6-[2-fluoro-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenoxy]-5-methyl-4-pyrimidinyl}-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate

  • Molecular FormulaC27H32FN7O3
  • Average mass521.586 Da
  • Monoisotopic mass521.255066 Da
  • ChemSpider ID29397728

More details:

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

2,6-Diazatricyclo[3.3.1.13,7]decane-2-carboxylic acid, 6-[6-[2-fluoro-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenoxy]-5-methyl-4-pyrimidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-{6-[2-fluoro-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenoxy]-5-methyl-4-pyrimidinyl}-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-{6-[2-fluor-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenoxy]-5-methyl-4-pyrimidinyl}-2,6-diazatricyclo[3.3.1.13,7]decan-2-carboxylat [German] [ACD/IUPAC Name]
6-{6-[2-Fluoro-4-(3-méthyl-1H-1,2,4-triazol-1-yl)phénoxy]-5-méthyl-4-pyrimidinyl}-2,6-diazatricyclo[3.3.1.13,7]décane-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.1±34.3 °C
Index of Refraction: 1.696
Molar Refractivity: 138.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 931.58
ACD/KOC (pH 5.5): 4347.71
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1171.63
ACD/KOC (pH 7.4): 5468.07
Polar Surface Area: 99 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 360.9±7.0 cm3

Click to predict properties on the Chemicalize site


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