ChemSpider 2D Image | N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-3-methyl-1-naphthyl}-2-chlorobenzenesulfonamide | C32H31ClN6O3S

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

  • Molecular FormulaC32H31ClN6O3S
  • Average mass615.145 Da
  • Monoisotopic mass614.186707 Da
  • ChemSpider ID35035133

  • 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]-3-methyl-1-naphthalenyl]-2-chloro- [ACD/Index Name]
N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-3-methyl-1-naphthyl}-2-chlorbenzolsulfonamid [German] [ACD/IUPAC Name]
N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-3-methyl-1-naphthyl}-2-chlorobenzenesulfonamide [ACD/IUPAC Name]
N-{4-[(3-{2-[(trans-4-Aminocyclohexyl)amino]-4-pyrimidinyl}-2-pyridinyl)oxy]-3-méthyl-1-naphtyl}-2-chlorobenzènesulfonamide [French] [ACD/IUPAC Name]
N-{4-[(3-{2-[(Trans-4-Aminocyclohexyl)amino]pyrimidin-4-Yl}pyridin-2-Yl)oxy]-3-Methylnaphthalen-1-Yl}-2-Chlorobenzenesulfonamide
3E4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 808.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 442.8±37.1 °C
Index of Refraction: 1.680
Molar Refractivity: 168.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 3.37
ACD/KOC (pH 5.5): 11.07
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 11.51
ACD/KOC (pH 7.4): 37.77
Polar Surface Area: 141 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 446.0±3.0 cm3

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