ChemSpider 2D Image | 3-(Isopropylamino)-2-[4-({5-[(methylsulfonyl)amino]-1H-indol-2-yl}carbonyl)-1-piperazinyl]pyridinium | C22H29N6O3S

3-(Isopropylamino)-2-[4-({5-[(methylsulfonyl)amino]-1H-indol-2-yl}carbonyl)-1-piperazinyl]pyridinium

  • Molecular FormulaC22H29N6O3S
  • Average mass457.569 Da
  • Monoisotopic mass457.201630 Da
  • ChemSpider ID21201635

  • Charge - Charge

More details:

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

3-(Isopropylamino)-2-[4-({5-[(methylsulfonyl)amino]-1H-indol-2-yl}carbonyl)-1-piperazinyl]pyridinium [ACD/IUPAC Name]
3-(Isopropylamino)-2-[4-({5-[(methylsulfonyl)amino]-1H-indol-2-yl}carbonyl)-1-piperazinyl]pyridinium [German] [ACD/IUPAC Name]
3-(Isopropylamino)-2-[4-({5-[(méthylsulfonyl)amino]-1H-indol-2-yl}carbonyl)-1-pipérazinyl]pyridinium [French] [ACD/IUPAC Name]
Pyridinium, 3-[(1-methylethyl)amino]-2-[4-[[5-[(methylsulfonyl)amino]-1H-indol-2-yl]carbonyl]-1-piperazinyl]- [ACD/Index Name]
ZINC00606503

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

Density:
Boiling Point: 732.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.5±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 20.51
Polar Surface Area: 120 Å2
Polarizability:
Surface Tension:
Molar Volume:

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