ChemSpider 2D Image | 6-[(3-{Bis[(~2~H_3_)methyl]carbamoyl}phenyl)sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methyl-3-quinolinecarboxamide | C27H20D6N4O5S

6-[(3-{Bis[(2H3)methyl]carbamoyl}phenyl)sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methyl-3-quinolinecarboxamide

  • Molecular FormulaC27H20D6N4O5S
  • Average mass524.621 Da
  • Monoisotopic mass524.200073 Da
  • ChemSpider ID58793775

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Quinolinecarboxamide, 6-[[3-[(dimethyl-d3-amino)carbonyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methyl- [ACD/Index Name]
6-[(3-{Bis[(2H3)methyl]carbamoyl}phenyl)sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methyl-3-chinolincarboxamid [German] [ACD/IUPAC Name]
6-[(3-{Bis[(2H3)méthyl]carbamoyl}phényl)sulfonyl]-4-[(3-méthoxyphényl)amino]-8-méthyl-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
6-[(3-{Bis[(2H3)methyl]carbamoyl}phenyl)sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methyl-3-quinolinecarboxamide [ACD/IUPAC 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: 791.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 432.6±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 223.11
ACD/KOC (pH 5.5): 1665.15
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 225.29
ACD/KOC (pH 7.4): 1681.47
Polar Surface Area: 140 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 385.4±3.0 cm3

Click to predict properties on the Chemicalize site


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