ChemSpider 2D Image | 6-(Dimethylamino)-2-[2-[[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione | C20H21N5O2S

6-(Dimethylamino)-2-[2-[[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione

  • Molecular FormulaC20H21N5O2S
  • Average mass395.478 Da
  • Monoisotopic mass395.141602 Da
  • ChemSpider ID35034125

More details:

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

1579991-63-1 [RN]
1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-(dimethylamino)-2-[2-[[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethyl]- [ACD/Index Name]
6-(Dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isochinolin-1,3(2H)-dion [German] [ACD/IUPAC Name]
6-(Diméthylamino)-2-(2-{[(5-méthyl-1,3,4-thiadiazol-2-yl)méthyl]amino}éthyl)-1H-benzo[de]isoquinoléine-1,3(2H)-dione [French] [ACD/IUPAC Name]
6-(Dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione [ACD/IUPAC Name]
6-(Dimethylamino)-2-[2-[[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione
6-(dimethylamino)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]benzo[de]isoquinoline-1,3-dione
6-?(dimethylamino)?-?2-?[2-?[[(5-?methyl-?1,?3,?4-?thiadiazol-?2-?yl)?methyl]?amino]?ethyl]?-1H-?Benz[de]?isoquinoline-?1,?3(2H)?-?dione
Chitinase-IN-2
NF6
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Chitinase-IN-2 is a insect chitinase and N- acetyl hexosaminidase inhibitor and pesticide; 50 ?M/20 ?M compound concentration's inhibitory percentage are 98%/92% for chitinase/N- acetyl-hexosaminidase respectively. MedChem Express HY-18599
      Chitinase-IN-2 is a insect chitinase and N- acetyl hexosaminidase inhibitor and pesticide; 50 uM/20uM compound concentration's inhibitory percentage are 98%/92% for chitinase/N- acetyl-hexosaminidase respectively. MedChem Express
      Others MedChem Express HY-18599

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

Density: 1.4±0.1 g/cm3
Boiling Point: 618.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 327.9±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 95.10
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.98
ACD/KOC (pH 7.4): 240.19
Polar Surface Area: 107 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 290.5±3.0 cm3

Click to predict properties on the Chemicalize site


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