ChemSpider 2D Image | 6-Chloro-2-(2-chloro-4-nitrophenyl)-3a,4-diethoxy-7,9-dimethoxy-4-(4-methylphenyl)-3a,4-dihydro-2H-chromeno[4,3-d][1,2,3]thiadiazole | C28H27Cl2N3O7S

6-Chloro-2-(2-chloro-4-nitrophenyl)-3a,4-diethoxy-7,9-dimethoxy-4-(4-methylphenyl)-3a,4-dihydro-2H-chromeno[4,3-d][1,2,3]thiadiazole

  • Molecular FormulaC28H27Cl2N3O7S
  • Average mass620.501 Da
  • Monoisotopic mass619.094666 Da
  • ChemSpider ID17282986

More details:

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

2H-[1]Benzopyrano[4,3-d][1,2,3]thiadiazole, 6-chloro-2-(2-chloro-4-nitrophenyl)-3a,4-diethoxy-3a,4-dihydro-7,9-dimethoxy-4-(4-methylphenyl)- [ACD/Index Name]
6-Chlor-2-(2-chlor-4-nitrophenyl)-3a,4-diethoxy-7,9-dimethoxy-4-(4-methylphenyl)-3a,4-dihydro-2H-chromeno[4,3-d][1,2,3]thiadiazol [German] [ACD/IUPAC Name]
6-Chloro-2-(2-chloro-4-nitrophenyl)-3a,4-diethoxy-7,9-dimethoxy-4-(4-methylphenyl)-3a,4-dihydro-2H-chromeno[4,3-d][1,2,3]thiadiazole [ACD/IUPAC Name]
6-Chloro-2-(2-chloro-4-nitrophényl)-3a,4-diéthoxy-7,9-diméthoxy-4-(4-méthylphényl)-3a,4-dihydro-2H-chroméno[4,3-d][1,2,3]thiadiazole [French] [ACD/IUPAC Name]
(3aRS,4RS )6-chloro-2-(2-chloro-4-nitrophenyl)-4-(4-methylphenyl)-3a,4-diethoxyl-7,9-dimethoxylchromane[4,3-d]-D1,9b-1,2,3-thiadiazoline
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL389227/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 725.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.3±35.7 °C
Index of Refraction: 1.638
Molar Refractivity: 155.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 8.29
ACD/LogD (pH 5.5): 7.12
ACD/BCF (pH 5.5): 150947.81
ACD/KOC (pH 5.5): 177248.03
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 150947.81
ACD/KOC (pH 7.4): 177248.03
Polar Surface Area: 133 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 432.7±7.0 cm3

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