Found 44 results

Search term: MF = 'C_{29}H_{30}BrN_{3}O_{4}S'
ChemSpider 2D Image | 2-[(Z)-{3-Bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}amino]-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile | C29H30BrN3O4S

2-[(Z)-{3-Bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}amino]-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

  • Molecular FormulaC29H30BrN3O4S
  • Average mass596.535 Da
  • Monoisotopic mass595.114014 Da
  • ChemSpider ID79711084

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(Z)-{3-Brom-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzyliden}amino]-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-carbonitril [German] [ACD/IUPAC Name]
2-[(Z)-{3-Bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}amino]-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile [ACD/IUPAC Name]
2-[(Z)-{3-Bromo-5-éthoxy-4-[(4-nitrobenzyl)oxy]benzylidène}amino]-6-(2-méthyl-2-propanyl)-4,5,6,7-tétrahydro-1-benzothiophène-3-carbonitrile [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carbonitrile, 2-[[(1Z)-[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- [ACD/Index 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: 750.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.6±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 154.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.95
ACD/LogD (pH 5.5): 8.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 689781.06
ACD/LogD (pH 7.4): 8.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 690272.75
Polar Surface Area: 129 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 433.5±7.0 cm3

Click to predict properties on the Chemicalize site


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