ChemSpider 2D Image | 2-({5-Chloro-2-[(E)-{(4R)-2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]-2,5-cyclohexadien-1-ylidene}amino]-4-pyrimidinyl}amino)-N-isopropylbenzenesulfonamide | C25H32ClN7O3S

2-({5-Chloro-2-[(E)-{(4R)-2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]-2,5-cyclohexadien-1-ylidene}amino]-4-pyrimidinyl}amino)-N-isopropylbenzenesulfonamide

  • Molecular FormulaC25H32ClN7O3S
  • Average mass546.085 Da
  • Monoisotopic mass545.197571 Da
  • ChemSpider ID26327343

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-({5-Chlor-2-[(E)-{(4R)-2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]-2,5-cyclohexadien-1-yliden}amino]-4-pyrimidinyl}amino)-N-isopropylbenzolsulfonamid [German] [ACD/IUPAC Name]
2-({5-Chloro-2-[(E)-{(4R)-2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]-2,5-cyclohexadien-1-ylidene}amino]-4-pyrimidinyl}amino)-N-isopropylbenzenesulfonamide [ACD/IUPAC Name]
2-({5-Chloro-2-[(E)-{(4R)-2-méthoxy-4-[(3R)-3-(méthylamino)-1-pyrrolidinyl]-2,5-cyclohexadién-1-ylidène}amino]-4-pyrimidinyl}amino)-N-isopropylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 2-[[5-chloro-2-[[(1E,4R)-2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]-2,5-cyclohexadien-1-ylidene]amino]-4-pyrimidinyl]amino]-N-(1-methylethyl)- [ACD/Index Name]
2-({5-Chlor-2-[(E)-{2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]-2,5-cyclohexadien-1-yliden}amino]-4-pyrimidinyl}amino)-N-isopropylbenzolsulfonamid [German] [ACD/IUPAC Name]
2-({5-Chloro-2-[(E)-{2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]-2,5-cyclohexadien-1-ylidene}amino]-4-pyrimidinyl}amino)-N-isopropylbenzenesulfonamide [ACD/IUPAC Name]
2-({5-Chloro-2-[(E)-{2-méthoxy-4-[(3R)-3-(méthylamino)-1-pyrrolidinyl]-2,5-cyclohexadién-1-ylidène}amino]-4-pyrimidinyl}amino)-N-isopropylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 2-[[5-chloro-2-[[(1E)-2-methoxy-4-[(3R)-3-(methylamino)-1-pyrrolidinyl]-2,5-cyclohexadien-1-ylidene]amino]-4-pyrimidinyl]amino]-N-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 718.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 388.1±35.7 °C
Index of Refraction: 1.661
Molar Refractivity: 144.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.95
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.88
Polar Surface Area: 129 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 392.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement