Found 99 results

Search term: MF = 'C_{29}H_{31}N_{7}O_{4}S'
ChemSpider 2D Image | N-(4-{[(E)-1-{[2-(4-Morpholinyl)ethyl]amino}-2-nitrovinyl]amino}phenyl)-3-[(4-quinolinylmethyl)amino]-2-thiophenecarboxamide | C29H31N7O4S

N-(4-{[(E)-1-{[2-(4-Morpholinyl)ethyl]amino}-2-nitrovinyl]amino}phenyl)-3-[(4-quinolinylmethyl)amino]-2-thiophenecarboxamide

  • Molecular FormulaC29H31N7O4S
  • Average mass573.666 Da
  • Monoisotopic mass573.215820 Da
  • ChemSpider ID9895869

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Thiophenecarboxamide, N-[4-[[(E)-1-[[2-(4-morpholinyl)ethyl]amino]-2-nitroethenyl]amino]phenyl]-3-[(4-quinolinylmethyl)amino]- [ACD/Index Name]
3-[(4-Chinolinylmethyl)amino]-N-(4-{[(E)-1-{[2-(4-morpholinyl)ethyl]amino}-2-nitrovinyl]amino}phenyl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-(4-{[(E)-1-{[2-(4-Morpholinyl)éthyl]amino}-2-nitrovinyl]amino}phényl)-3-[(4-quinoléinylméthyl)amino]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
N-(4-{[(E)-1-{[2-(4-Morpholinyl)ethyl]amino}-2-nitrovinyl]amino}phenyl)-3-[(4-quinolinylmethyl)amino]-2-thiophenecarboxamide [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: 734.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.2±32.9 °C
Index of Refraction: 1.723
Molar Refractivity: 163.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 3.66
ACD/KOC (pH 5.5): 31.19
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 102.11
ACD/KOC (pH 7.4): 871.31
Polar Surface Area: 165 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 413.9±3.0 cm3

Click to predict properties on the Chemicalize site


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