ChemSpider 2D Image | 4-({7-[5-(Aminomethyl)-2-methylphenyl]-5-methyl-1,2,4-benzotriazin-3-yl}amino)-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide | C28H33N7O2S

4-({7-[5-(Aminomethyl)-2-methylphenyl]-5-methyl-1,2,4-benzotriazin-3-yl}amino)-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide

  • Molecular FormulaC28H33N7O2S
  • Average mass531.672 Da
  • Monoisotopic mass531.241638 Da
  • ChemSpider ID23285495

More details:

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

4-({7-[5-(Aminomethyl)-2-methylphenyl]-5-methyl-1,2,4-benzotriazin-3-yl}amino)-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide [ACD/IUPAC Name]
4-({7-[5-(Aminométhyl)-2-méthylphényl]-5-méthyl-1,2,4-benzotriazin-3-yl}amino)-N-[2-(1-pyrrolidinyl)éthyl]benzènesulfonamide [French] [ACD/IUPAC Name]
4-({7-[5-(Aminomethyl)-2-methylphenyl]-5-methyl-1,2,4-benzotriazin-3-yl}amino)-N-[2-(1-pyrrolidinyl)ethyl]benzolsulfonamid [German] [ACD/IUPAC Name]
4-({7-[5-(aminomethyl)-2-methylphenyl]-5-methyl-1,2,4-benzotriazin-3-yl}amino)-N-[2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
Benzenesulfonamide, 4-[[7-[5-(aminomethyl)-2-methylphenyl]-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(1-pyrrolidinyl)ethyl]- [ACD/Index Name]
4-(7-(5-(aminomethyl)-2-methylphenyl)-5-methylbenzo[e][1,2,4]triazin-3-ylamino)-N-(2-(pyrrolidin-1-yl)ethyl)benzenesulfonamide
CHEMBL231626

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

Density: 1.3±0.1 g/cm3
Boiling Point: 721.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.9±35.7 °C
Index of Refraction: 1.655
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.02
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 410.0±3.0 cm3

Click to predict properties on the Chemicalize site


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