ChemSpider 2D Image | 6,8-Dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2(1H)-isoquinolinecarboxamide | C13H9Cl2F3N4OS

6,8-Dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2(1H)-isoquinolinecarboxamide

  • Molecular FormulaC13H9Cl2F3N4OS
  • Average mass397.203 Da
  • Monoisotopic mass395.982635 Da
  • ChemSpider ID78860566

More details:

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

2(1H)-Isoquinolinecarboxamide, 6,8-dichloro-3,4-dihydro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
6,8-Dichlor-N-[5-(trifluormethyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2(1H)-isochinolincarboxamid [German] [ACD/IUPAC Name]
6,8-Dichloro-N-[5-(trifluorométhyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2(1H)-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
6,8-Dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-2(1H)-isoquinolinecarboxamide [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 85.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 278.76
ACD/KOC (pH 5.5): 1611.63
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 12.31
ACD/KOC (pH 7.4): 71.19
Polar Surface Area: 86 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 239.3±3.0 cm3

Click to predict properties on the Chemicalize site


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