ChemSpider 2D Image | N-[1-(3,4-Dichlorophenyl)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-1H-1,2,4-triazol-5-yl]-3-(2-methylphenyl)propanamide | C27H25Cl2N5O

N-[1-(3,4-Dichlorophenyl)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-1H-1,2,4-triazol-5-yl]-3-(2-methylphenyl)propanamide

  • Molecular FormulaC27H25Cl2N5O
  • Average mass506.426 Da
  • Monoisotopic mass505.143616 Da
  • ChemSpider ID123932223

More details:

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

Benzenepropanamide, N-[1-(3,4-dichlorophenyl)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-1H-1,2,4-triazol-5-yl]-2-methyl- [ACD/Index Name]
N-[1-(3,4-Dichlorophényl)-3-(3,4-dihydro-2(1H)-isoquinoléinyl)-1H-1,2,4-triazol-5-yl]-3-(2-méthylphényl)propanamide [French] [ACD/IUPAC Name]
N-[1-(3,4-Dichlorophenyl)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-1H-1,2,4-triazol-5-yl]-3-(2-methylphenyl)propanamide [ACD/IUPAC Name]
N-[1-(3,4-Dichlorphenyl)-3-(3,4-dihydro-2(1H)-isochinolinyl)-1H-1,2,4-triazol-5-yl]-3-(2-methylphenyl)propanamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 141.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 6.64
ACD/BCF (pH 5.5): 65129.53
ACD/KOC (pH 5.5): 97104.82
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 65151.13
ACD/KOC (pH 7.4): 97137.02
Polar Surface Area: 63 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 374.9±7.0 cm3

Click to predict properties on the Chemicalize site


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