ChemSpider 2D Image | (2S)-2-[(1R)-1-(2-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-N-(2,3-dihydro-1H-inden-2-yl)-N-(2-hydroxybenzyl)propanamide | C34H33ClN2O2

(2S)-2-[(1R)-1-(2-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-N-(2,3-dihydro-1H-inden-2-yl)-N-(2-hydroxybenzyl)propanamide

  • Molecular FormulaC34H33ClN2O2
  • Average mass537.091 Da
  • Monoisotopic mass536.223083 Da
  • ChemSpider ID8465017

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(1R)-1-(2-Chlorophényl)-3,4-dihydro-2(1H)-isoquinoléinyl]-N-(2,3-dihydro-1H-indén-2-yl)-N-(2-hydroxybenzyl)propanamide [French] [ACD/IUPAC Name]
(2S)-2-[(1R)-1-(2-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-N-(2,3-dihydro-1H-inden-2-yl)-N-(2-hydroxybenzyl)propanamide [ACD/IUPAC Name]
(2S)-2-[(1R)-1-(2-Chlorphenyl)-3,4-dihydro-2(1H)-isochinolinyl]-N-(2,3-dihydro-1H-inden-2-yl)-N-(2-hydroxybenzyl)propanamid [German] [ACD/IUPAC Name]
2(1H)-Isoquinolineacetamide, 1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-N-[(2-hydroxyphenyl)methyl]-α-methyl-, (αS,1R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 370.6±31.5 °C
Index of Refraction: 1.690
Molar Refractivity: 157.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 6.44
ACD/BCF (pH 5.5): 43299.34
ACD/KOC (pH 5.5): 67340.10
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 55581.13
ACD/KOC (pH 7.4): 86441.02
Polar Surface Area: 44 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 411.3±5.0 cm3

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