ChemSpider 2D Image | 4-[(E)-2-Cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)vinyl]phenyl 3-oxo-3H-benzo[f]chromene-2-carboxylate | C30H22N4O4

4-[(E)-2-Cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)vinyl]phenyl 3-oxo-3H-benzo[f]chromene-2-carboxylate

  • Molecular FormulaC30H22N4O4
  • Average mass502.520 Da
  • Monoisotopic mass502.164093 Da
  • ChemSpider ID4793568

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-Naphtho[2,1-b]pyran-2-carboxylic acid, 3-oxo-, 4-[(E)-2-cyano-2-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)ethenyl]phenyl ester [ACD/Index Name]
3-Oxo-3H-benzo[f]chromène-2-carboxylate de 4-[(E)-2-cyano-2-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-yl)vinyl]phényle [French] [ACD/IUPAC Name]
4-[(E)-2-Cyan-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)vinyl]phenyl-3-oxo-3H-benzo[f]chromen-2-carboxylat [German] [ACD/IUPAC Name]
4-[(E)-2-Cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)vinyl]phenyl 3-oxo-3H-benzo[f]chromene-2-carboxylate [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: 813.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.7±37.1 °C
Index of Refraction: 1.698
Molar Refractivity: 142.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5430.29
ACD/KOC (pH 5.5): 16403.38
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5432.29
ACD/KOC (pH 7.4): 16409.40
Polar Surface Area: 107 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 368.3±7.0 cm3

Click to predict properties on the Chemicalize site


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