ChemSpider 2D Image | N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-1-naphthyl}benzenesulfonamide | C31H30N6O3S

N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-1-naphthyl}benzenesulfonamide

  • Molecular FormulaC31H30N6O3S
  • Average mass566.673 Da
  • Monoisotopic mass566.210022 Da
  • ChemSpider ID35035139

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N-[4-[[3-[2-[(trans-4-aminocyclohexyl)amino]-4-pyrimidinyl]-2-pyridinyl]oxy]-1-naphthalenyl]- [ACD/Index Name]
N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-1-naphthyl}benzenesulfonamide [ACD/IUPAC Name]
N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-1-naphthyl}benzolsulfonamid [German] [ACD/IUPAC Name]
N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-1-naphtyl}benzènesulfonamide [French] [ACD/IUPAC Name]
N-{4-[(3-{2-[(Trans-4-Aminocyclohexyl)amino]pyrimidin-4-Yl}pyridin-2-Yl)oxy]naphthalen-1-Yl}benzenesulfonamide
3EL

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

Density: 1.4±0.1 g/cm3
Boiling Point: 792.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 432.9±35.7 °C
Index of Refraction: 1.686
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.07
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 10.17
Polar Surface Area: 141 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 417.7±3.0 cm3

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