ChemSpider 2D Image | 5-{[4-{[2-(1-Pyrrolidinylsulfonyl)benzyl]amino}-5-(trifluoromethyl)-2-pyrimidinyl]amino}-2H-indol-2-one | C24H21F3N6O3S

5-{[4-{[2-(1-Pyrrolidinylsulfonyl)benzyl]amino}-5-(trifluoromethyl)-2-pyrimidinyl]amino}-2H-indol-2-one

  • Molecular FormulaC24H21F3N6O3S
  • Average mass530.522 Da
  • Monoisotopic mass530.134766 Da
  • ChemSpider ID25057792

More details:

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

2H-Indol-2-one, 5-[[4-[[[2-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]- [ACD/Index Name]
5-{[4-{[2-(1-Pyrrolidinylsulfonyl)benzyl]amino}-5-(trifluormethyl)-2-pyrimidinyl]amino}-2H-indol-2-on [German] [ACD/IUPAC Name]
5-{[4-{[2-(1-Pyrrolidinylsulfonyl)benzyl]amino}-5-(trifluoromethyl)-2-pyrimidinyl]amino}-2H-indol-2-one [ACD/IUPAC Name]
5-{[4-{[2-(1-Pyrrolidinylsulfonyl)benzyl]amino}-5-(trifluorométhyl)-2-pyrimidinyl]amino}-2H-indol-2-one [French] [ACD/IUPAC Name]
5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2H-indol-2-one

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

349 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 707.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.8±35.7 °C
Index of Refraction: 1.688
Molar Refractivity: 130.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.18
ACD/KOC (pH 5.5): 286.77
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.55
ACD/KOC (pH 7.4): 292.30
Polar Surface Area: 125 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 341.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement