ChemSpider 2D Image | 4-({[6-(Benzylamino)-5-nitro-4-pyrimidinyl]amino}methyl)benzenesulfonamide | C18H18N6O4S

4-({[6-(Benzylamino)-5-nitro-4-pyrimidinyl]amino}methyl)benzenesulfonamide

  • Molecular FormulaC18H18N6O4S
  • Average mass414.438 Da
  • Monoisotopic mass414.111023 Da
  • ChemSpider ID25059150

More details:






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

4-({[6-(Benzylamino)-5-nitro-4-pyrimidinyl]amino}methyl)benzenesulfonamide [ACD/IUPAC Name]
4-({[6-(Benzylamino)-5-nitro-4-pyrimidinyl]amino}méthyl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-({[6-(Benzylamino)-5-nitro-4-pyrimidinyl]amino}methyl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide
Benzenesulfonamide, 4-[[[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]amino]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 690.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.2±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 106.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 445.59
ACD/KOC (pH 5.5): 2739.24
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 444.98
ACD/KOC (pH 7.4): 2735.48
Polar Surface Area: 164 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 85.4±3.0 dyne/cm
Molar Volume: 277.0±3.0 cm3

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