ChemSpider 2D Image | TP-0903 | C24H30ClN7O2S

TP-0903

  • Molecular FormulaC24H30ClN7O2S
  • Average mass516.059 Da
  • Monoisotopic mass515.187012 Da
  • ChemSpider ID28516684

More details:






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

1341200-45-0 [RN]
14D65TV20J
2-{[5-Chlor-2-({4-[(4-methyl-1-piperazinyl)methyl]phenyl}amino)-4-pyrimidinyl]amino}-N,N-dimethylbenzolsulfonamid [German] [ACD/IUPAC Name]
2-{[5-Chloro-2-({4-[(4-methyl-1-piperazinyl)methyl]phenyl}amino)-4-pyrimidinyl]amino}-N,N-dimethylbenzenesulfonamide [ACD/IUPAC Name]
2-{[5-Chloro-2-({4-[(4-méthyl-1-pipérazinyl)méthyl]phényl}amino)-4-pyrimidinyl]amino}-N,N-diméthylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 2-[[5-chloro-2-[[4-[(4-methyl-1-piperazinyl)methyl]phenyl]amino]-4-pyrimidinyl]amino]-N,N-dimethyl- [ACD/Index Name]
TP-0903
2-((5-chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzenesulfonamide
2-[[5-chloro-2-[[4-[(4-methyl-1-piperazinyl)methyl]phenyl]amino]-4-pyrimidinyl]amino]-N,N-dimethyl-benzenesulfonamide
2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 664.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.8±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 2.62
ACD/KOC (pH 5.5): 16.85
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 127.44
ACD/KOC (pH 7.4): 821.43
Polar Surface Area: 102 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 382.9±3.0 cm3

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