ChemSpider 2D Image | 4-(2-Cyclopropylethylidene)-6-[(3,3-dimethyl-2-butanyl)amino]-9-(1H-pyrazol-4-yl)benzo[c][1,6]naphthyridin-1(4H)-one | C26H29N5O

4-(2-Cyclopropylethylidene)-6-[(3,3-dimethyl-2-butanyl)amino]-9-(1H-pyrazol-4-yl)benzo[c][1,6]naphthyridin-1(4H)-one

  • Molecular FormulaC26H29N5O
  • Average mass427.541 Da
  • Monoisotopic mass427.237213 Da
  • ChemSpider ID26328062

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-(2-Cyclopropylethyliden)-6-[(3,3-dimethyl-2-butanyl)amino]-9-(1H-pyrazol-4-yl)benzo[c][1,6]naphthyridin-1(4H)-on [German] [ACD/IUPAC Name]
4-(2-Cyclopropylethylidene)-6-[(3,3-dimethyl-2-butanyl)amino]-9-(1H-pyrazol-4-yl)benzo[c][1,6]naphthyridin-1(4H)-one [ACD/IUPAC Name]
4-(2-Cyclopropyléthylidène)-6-[(3,3-diméthyl-2-butanyl)amino]-9-(1H-pyrazol-4-yl)benzo[c][1,6]naphtyridin-1(4H)-one [French] [ACD/IUPAC Name]
Benzo[c][1,6]naphthyridin-1(4H)-one, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-[(1,2,2-trimethylpropyl)amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.8±35.7 °C
Index of Refraction: 1.683
Molar Refractivity: 125.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6556.26
ACD/KOC (pH 5.5): 18750.02
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6585.27
ACD/KOC (pH 7.4): 18832.98
Polar Surface Area: 83 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 330.9±7.0 cm3

Click to predict properties on the Chemicalize site


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