ChemSpider 2D Image | 4-{1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl}benzonitrile | C27H29N5O

4-{1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl}benzonitrile

  • Molecular FormulaC27H29N5O
  • Average mass439.552 Da
  • Monoisotopic mass439.237213 Da
  • ChemSpider ID58955989

More details:

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

1399177-37-7 [RN]
4-{1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl}benzonitrile
4-{1-[4-Cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzoyl]-4-piperidinyl}benzonitril [German] [ACD/IUPAC Name]
4-{1-[4-Cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzoyl]-4-piperidinyl}benzonitrile [ACD/IUPAC Name]
4-{1-[4-Cyclobutyl-2-méthyl-5-(5-méthyl-4H-1,2,4-triazol-3-yl)benzoyl]-4-pipéridinyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[1-[4-cyclobutyl-2-methyl-5-(5-methyl-4H-1,2,4-triazol-3-yl)benzoyl]-4-piperidinyl]- [ACD/Index Name]
4-[1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl]benzonitrile
Denifanstat
FASN-IN-2
TVB-2640

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.2±35.7 °C
Index of Refraction: 1.650
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1072.56
ACD/KOC (pH 5.5): 5133.23
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1073.60
ACD/KOC (pH 7.4): 5138.22
Polar Surface Area: 86 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 344.7±5.0 cm3

Click to predict properties on the Chemicalize site


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