ChemSpider 2D Image | DASA-58 | C19H23N3O6S2

DASA-58

  • Molecular FormulaC19H23N3O6S2
  • Average mass453.532 Da
  • Monoisotopic mass453.102814 Da
  • ChemSpider ID24675725

More details:






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

1203494-49-8 [RN]
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline
3-{[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}anilin [German] [ACD/IUPAC Name]
3-{[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline [ACD/IUPAC Name]
3-{[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazépan-1-yl]sulfonyl}aniline [French] [ACD/IUPAC Name]
Benzenamine, 3-[[4-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]hexahydro-1H-1,4-diazepin-1-yl]sulfonyl]- [ACD/Index Name]
DASA-58
3-(4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-ylsulfonyl)-1,4-diazepan-1-ylsulfonyl)aniline
3-?[[4-?[(2,?3-?dihydro-?1,?4-?benzodioxin-?6-?yl)?sulfonyl]?hexahydro-?1H-?1,?4-?diazepin-?1-?yl]?sulfonyl]?-Benzenamine
3-[[4-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]hexahydro-1H-1,4-diazepin-1-yl]sulfonyl]-benzenamine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 681.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.0±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 112.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 18.96
ACD/KOC (pH 5.5): 285.41
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.09
ACD/KOC (pH 7.4): 287.40
Polar Surface Area: 136 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 312.0±3.0 cm3

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