ChemSpider 2D Image | 4-{[7-(2-Chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino}-N-methyl-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide | C27H29ClN6O3S

4-{[7-(2-Chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino}-N-methyl-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide

  • Molecular FormulaC27H29ClN6O3S
  • Average mass553.076 Da
  • Monoisotopic mass552.171021 Da
  • ChemSpider ID9895680

More details:

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

4-{[7-(2-Chlor-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino}-N-methyl-N-[2-(1-pyrrolidinyl)ethyl]benzolsulfonamid [German] [ACD/IUPAC Name]
4-{[7-(2-Chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino}-N-methyl-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide [ACD/IUPAC Name]
4-{[7-(2-Chloro-5-hydroxyphényl)-6-méthyl-1,2,4-benzotriazin-3-yl]amino}-N-méthyl-N-[2-(1-pyrrolidinyl)éthyl]benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[7-(2-chloro-5-hydroxyphenyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-[2-(1-pyrrolidinyl)ethyl]- [ACD/Index Name]
US8481536, 552

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

Density: 1.4±0.1 g/cm3
Boiling Point: 734.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 398.3±35.7 °C
Index of Refraction: 1.668
Molar Refractivity: 148.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 4.44
ACD/KOC (pH 5.5): 13.70
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 37.11
ACD/KOC (pH 7.4): 114.54
Polar Surface Area: 120 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 399.0±3.0 cm3

Click to predict properties on the Chemicalize site


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