ChemSpider 2D Image | N-[(1Z)-3-{[2-(2-Methyl-1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxo-1-propen-2-yl]-4-(2-methyl-2-propanyl)benzamide | C31H32N4O4

N-[(1Z)-3-{[2-(2-Methyl-1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxo-1-propen-2-yl]-4-(2-methyl-2-propanyl)benzamide

  • Molecular FormulaC31H32N4O4
  • Average mass524.610 Da
  • Monoisotopic mass524.242371 Da
  • ChemSpider ID4454042
  • Double-bond stereo - Double-bond stereo


More details:






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

Benzamide, 4-(1,1-dimethylethyl)-N-[(Z)-1-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]-2-(3-nitrophenyl)ethenyl]- [ACD/Index Name]
N-[(1Z)-3-{[2-(2-Methyl-1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxo-1-propen-2-yl]-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-[(1Z)-3-{[2-(2-Methyl-1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxo-1-propen-2-yl]-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-[(1Z)-3-{[2-(2-Méthyl-1H-indol-3-yl)éthyl]amino}-1-(3-nitrophényl)-3-oxo-1-propén-2-yl]-4-(2-méthyl-2-propanyl)benzamide [French] [ACD/IUPAC Name]
(2Z)-2-[(4-TERT-BUTYLPHENYL)FORMAMIDO]-N-[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]-3-(3-NITROPHENYL)PROP-2-ENAMIDE
(2Z)-2-{[4-(tert-butyl)phenyl]carbonylamino}-N-[2-(2-methylindol-3-yl)ethyl]-3-(3-nitrophenyl)prop-2-enamide
4-tert-butyl-N-[(1Z)-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
4-tert-butyl-N-[1-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}carbonyl)-2-(3-nitrophenyl)vinyl]benzamide
4-tert-Butyl-N-[1-[2-(2-methyl-1H-indol-3-yl)-ethylcarbamoyl]-2-(3-nitro-phenyl)-vinyl]-benzamide

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

A2812/0118934 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 825.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 453.0±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 154.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4594.26
ACD/KOC (pH 5.5): 14554.79
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4591.93
ACD/KOC (pH 7.4): 14547.41
Polar Surface Area: 120 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 421.8±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement