ChemSpider 2D Image | 3-Bromo-5-{[3-({2-[(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)oxy]ethyl}amino)-3-oxopropyl](phenyl)carbamoyl}-1-propylpyridinium | C30H34BrN4O4

3-Bromo-5-{[3-({2-[(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)oxy]ethyl}amino)-3-oxopropyl](phenyl)carbamoyl}-1-propylpyridinium

  • Molecular FormulaC30H34BrN4O4
  • Average mass594.519 Da
  • Monoisotopic mass593.175781 Da
  • ChemSpider ID5293379

  • Charge - Charge

More details:

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

3-Brom-5-{[3-({2-[(3,4-dihydro-2(1H)-isochinolinylcarbonyl)oxy]ethyl}amino)-3-oxopropyl](phenyl)carbamoyl}-1-propylpyridinium [German] [ACD/IUPAC Name]
3-Bromo-5-{[3-({2-[(3,4-dihydro-2(1H)-isoquinoléinylcarbonyl)oxy]éthyl}amino)-3-oxopropyl](phényl)carbamoyl}-1-propylpyridinium [French] [ACD/IUPAC Name]
3-Bromo-5-{[3-({2-[(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)oxy]ethyl}amino)-3-oxopropyl](phenyl)carbamoyl}-1-propylpyridinium [ACD/IUPAC Name]
Pyridinium, 3-bromo-5-[[[3-[[2-[[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]oxy]ethyl]amino]-3-oxopropyl]phenylamino]carbonyl]-1-propyl- [ACD/Index Name]
131311-24-5 [RN]
2-[3-[(5-bromo-1-propylpyridin-1-ium-3-carbonyl)-phenylamino]propanoylamino]ethyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
2-[3-[(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)-phenyl-amino]propanoylamino]ethyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
2-[3-[(5-bromo-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]propanoylamino]ethyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
3,4-dihydro-1H-isoquinoline-2-carboxylic acid 2-[[3-[[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]-phenylamino]-1-oxopropyl]amino]ethyl ester
3,4-dihydro-1H-isoquinoline-2-carboxylic acid 2-[3-[(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)-phenyl-amino]propanoylamino]ethyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -1.66
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 64.10
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.35
ACD/KOC (pH 7.4): 64.10
Polar Surface Area: 83 Å2
Polarizability:
Surface Tension:
Molar Volume:

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