ChemSpider 2D Image | N,N-Diethyl-3-{4-isobutyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}benzenesulfonamide | C23H29N5O4S2

N,N-Diethyl-3-{4-isobutyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}benzenesulfonamide

  • Molecular FormulaC23H29N5O4S2
  • Average mass503.638 Da
  • Monoisotopic mass503.166107 Da
  • ChemSpider ID1780172

More details:

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

Benzenesulfonamide, N,N-diethyl-3-[4-(2-methylpropyl)-5-[[(4-nitrophenyl)methyl]thio]-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]
N,N-Diethyl-3-{4-isobutyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}benzenesulfonamide [ACD/IUPAC Name]
N,N-Diéthyl-3-{4-isobutyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}benzènesulfonamide [French] [ACD/IUPAC Name]
N,N-Diethyl-3-{4-isobutyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}benzolsulfonamid [German] [ACD/IUPAC Name]

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

ZINC03266635 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 702.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.5±35.7 °C
Index of Refraction: 1.633
Molar Refractivity: 137.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8495.87
ACD/KOC (pH 5.5): 22600.32
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8496.05
ACD/KOC (pH 7.4): 22600.79
Polar Surface Area: 148 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 384.6±7.0 cm3

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