ChemSpider 2D Image | SLx-4090 | C31H25F3N2O4

SLx-4090

  • Molecular FormulaC31H25F3N2O4
  • Average mass546.536 Da
  • Monoisotopic mass546.176636 Da
  • ChemSpider ID58540436

More details:






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

2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-[[[6-methoxy-4'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]carbonyl]amino]-, phenyl ester [ACD/Index Name]
6-({[6-Méthoxy-4'-(trifluorométhyl)-2-biphénylyl]carbonyl}amino)-3,4-dihydro-2(1H)-isoquinoléinecarboxylate de phényle [French] [ACD/IUPAC Name]
913541-47-6 [RN]
Phenyl 6-({[6-methoxy-4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)-3,4-dihydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
Phenyl-6-({[6-methoxy-4'-(trifluormethyl)-2-biphenylyl]carbonyl}amino)-3,4-dihydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
SLx-4090
COC1=C(C2=CC=C(C=C2)C(F)(F)F)C(=CC=C1)C(=O)NC1=CC2=C(CN(CC2)C(=O)OC2=CC=CC=C2)C=C1
KD-026
MFCD28502203
Phenyl 6-(6-methoxy-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxamido)-3,4-dihydroisoquinoline-2(1H)-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

F84YQX13FV [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.9±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 143.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 52164.98
ACD/KOC (pH 5.5): 82848.00
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 52164.87
ACD/KOC (pH 7.4): 82847.82
Polar Surface Area: 68 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 412.1±3.0 cm3

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