ChemSpider 2D Image | Dirlotapide | C40H33F3N4O3

Dirlotapide

  • Molecular FormulaC40H33F3N4O3
  • Average mass674.710 Da
  • Monoisotopic mass674.250488 Da
  • ChemSpider ID8093509
  • defined stereocentres - 1 of 1 defined stereocentres


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

1H-Indole-2-carboxamide, 1-methyl-N-((1S)-2-(methyl(phenylmethyl)amino)-2-oxo-1-phenylethyl)-5-(((4'-(trifluoromethyl)(1,1'-biphenyl)-2-yl)carbonyl)amino)-
1H-Indole-2-carboxamide, 1-methyl-N-[(1S)-2-[methyl(phenylmethyl)amino]-2-oxo-1-phenylethyl]-5-[[[4'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]carbonyl]amino]- [ACD/Index Name]
481658-94-0 [RN]
578H0RMP25
8468
Dirlotapide [USAN] [Wiki]
N-((1S)-2-(Benzylmethylamino)-2-oxo-1-phenylethyl)-1-methyl-5-(((4'-(trifluoromethyl)biphenyl-2-yl)carbonyl)amino)-1H-indole-2-carboxamide
N-{(1S)-2-[Benzyl(methyl)amino]-2-oxo-1-phenylethyl}-1-methyl-5-({[4'-(trifluormethyl)-2-biphenylyl]carbonyl}amino)-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
N-{(1S)-2-[Benzyl(methyl)amino]-2-oxo-1-phenylethyl}-1-methyl-5-({[4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)-1H-indole-2-carboxamide [ACD/IUPAC Name]
N-{(1S)-2-[Benzyl(méthyl)amino]-2-oxo-1-phényléthyl}-1-méthyl-5-({[4'-(trifluorométhyl)-2-biphénylyl]carbonyl}amino)-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CP-742,033 [DBID]
D03867 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 821.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 450.5±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 188.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 6.91
ACD/BCF (pH 5.5): 105191.64
ACD/KOC (pH 5.5): 136871.48
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 105190.60
ACD/KOC (pH 7.4): 136870.13
Polar Surface Area: 83 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 539.0±7.0 cm3

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