ChemSpider 2D Image | 2-(4-Chlorobenzyl)-5-(4-fluorobenzyl)-2,3-dihydro-1,2,5-benzothiadiazepin-4(5H)-one 1,1-dioxide | C22H18ClFN2O3S

2-(4-Chlorobenzyl)-5-(4-fluorobenzyl)-2,3-dihydro-1,2,5-benzothiadiazepin-4(5H)-one 1,1-dioxide

  • Molecular FormulaC22H18ClFN2O3S
  • Average mass444.906 Da
  • Monoisotopic mass444.071075 Da
  • ChemSpider ID22531205

More details:

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

1,1-Dioxyde de 2-(4-chlorobenzyl)-5-(4-fluorobenzyl)-2,3-dihydro-1,2,5-benzothiadiazépin-4(5H)-one [French] [ACD/IUPAC Name]
1,2,5-Benzothiadiazepin-4(5H)-one, 2-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]-2,3-dihydro-, 1,1-dioxide [ACD/Index Name]
2-(4-Chlorbenzyl)-5-(4-fluorbenzyl)-2,3-dihydro-1,2,5-benzothiadiazepin-4(5H)-on-1,1-dioxid [German] [ACD/IUPAC Name]
2-(4-Chlorobenzyl)-5-(4-fluorobenzyl)-2,3-dihydro-1,2,5-benzothiadiazepin-4(5H)-one 1,1-dioxide [ACD/IUPAC Name]
1031966-80-9 [RN]
2-(4-chlorobenzyl)-5-(4-fluorobenzyl)-2,3-dihydrobenzo[f][1,2,5]thiadiazepin-4(5H)-one 1,1-dioxide
2-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]-1,1-dioxo-3H-1λ6,2,5-benzothiadiazepin-4-one
2-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1λ6,2,5-benzothiadiazepine-1,1,4-trione
MFCD04459702

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

Density: 1.4±0.1 g/cm3
Boiling Point: 677.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.4±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 114.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 666.62
ACD/KOC (pH 5.5): 3655.39
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 666.62
ACD/KOC (pH 7.4): 3655.39
Polar Surface Area: 66 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 312.0±3.0 cm3

Click to predict properties on the Chemicalize site


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