ChemSpider 2D Image | Ethyl 2-({4-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzoyl}amino)ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-3,5-pyridinedicarboxylate | C29H26F6N4O5

Ethyl 2-({4-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzoyl}amino)ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC29H26F6N4O5
  • Average mass624.531 Da
  • Monoisotopic mass624.180725 Da
  • ChemSpider ID169716

More details:






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

135330-18-6 [RN]
2,6-Diméthyl-4-[2-(trifluorométhyl)phényl]-1,4-dihydro-3,5-pyridinedicarboxylate d'éthyle et de 2-({4-[3-(trifluorométhyl)-3H-diazirén-3-yl]benzoyl}amino)éthyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-, ethyl 2-[[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]amino]ethyl ester [ACD/Index Name]
Ethyl 2-({4-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzoyl}amino)ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Ethyl-2-({4-[3-(trifluormethyl)-3H-diaziren-3-yl]benzoyl}amino)ethyl-2,6-dimethyl-4-[2-(trifluormethyl)phenyl]-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
15715-94-3 [RN]
3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-, 3-ethyl5-[2-[[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]amino]ethyl] ester
3-ethyl 5-(2-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamido)ethyl) 2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate
3-ETHYL 5-[2-({4-[3-(TRIFLUOROMETHYL)DIAZIRIN-3-YL]PHENYL}FORMAMIDO)ETHYL] 2,6-DIMETHYL-4-[2-(TRIFLUOROMETHYL)PHENYL]-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE
Diazipine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.569
Molar Refractivity: 143.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 25228.10
ACD/KOC (pH 5.5): 49225.72
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25281.09
ACD/KOC (pH 7.4): 49329.11
Polar Surface Area: 118 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 438.9±7.0 cm3

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