Found 82 results

Search term: MF = 'C_{28}H_{26}Cl_{2}N_{4}O_{5}'
ChemSpider 2D Image | N-{[2-(1-Benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl}-3-(1-isopropyl-1H-pyrazol-4-yl)-L-alanine | C28H26Cl2N4O5

N-{[2-(1-Benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl}-3-(1-isopropyl-1H-pyrazol-4-yl)-L-alanine

  • Molecular FormulaC28H26Cl2N4O5
  • Average mass569.436 Da
  • Monoisotopic mass568.128052 Da
  • ChemSpider ID10139760

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-4-propanoic acid, α-[[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]amino]-1-(1-methylethyl)-, (αS)- [ACD/Index Name]
N-{[2-(1-Benzofuran-6-ylcarbonyl)-5,7-dichlor-1,2,3,4-tetrahydro-6-isochinolinyl]carbonyl}-3-(1-isopropyl-1H-pyrazol-4-yl)-L-alanin [German] [ACD/IUPAC Name]
N-{[2-(1-Benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tétrahydro-6-isoquinoléinyl]carbonyl}-3-(1-isopropyl-1H-pyrazol-4-yl)-L-alanine [French] [ACD/IUPAC Name]
N-{[2-(1-Benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl}-3-(1-isopropyl-1H-pyrazol-4-yl)-L-alanine [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 726.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 392.9±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 146.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 10.84
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 383.5±7.0 cm3

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