ChemSpider 2D Image | 1-(2,6-Dichlorophenyl)-3-(4-{methyl[2-({3-[(methylsulfonyl)methyl]phenyl}amino)-4-pyrimidinyl]amino}phenyl)urea | C26H24Cl2N6O3S

1-(2,6-Dichlorophenyl)-3-(4-{methyl[2-({3-[(methylsulfonyl)methyl]phenyl}amino)-4-pyrimidinyl]amino}phenyl)urea

  • Molecular FormulaC26H24Cl2N6O3S
  • Average mass571.478 Da
  • Monoisotopic mass570.100769 Da
  • ChemSpider ID4486982

More details:

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

1-(2,6-Dichlorophenyl)-3-(4-{methyl[2-({3-[(methylsulfonyl)methyl]phenyl}amino)-4-pyrimidinyl]amino}phenyl)urea [ACD/IUPAC Name]
1-(2,6-Dichlorophényl)-3-(4-{méthyl[2-({3-[(méthylsulfonyl)méthyl]phényl}amino)-4-pyrimidinyl]amino}phényl)urée [French] [ACD/IUPAC Name]
1-(2,6-dichlorophenyl)-3-(4-{methyl[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)urea
1-(2,6-Dichlorphenyl)-3-(4-{methyl[2-({3-[(methylsulfonyl)methyl]phenyl}amino)-4-pyrimidinyl]amino}phenyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-(2,6-dichlorophenyl)-N'-[4-[methyl[2-[[3-[(methylsulfonyl)methyl]phenyl]amino]-4-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
1-(2,6-Dichloro-phenyl)-3-(4-{[2-(3-methanesulfonylmethyl-phenylamino)-pyrimidin-4-yl]-methyl-amino}-phenyl)-urea
GW809897X

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 304.70
ACD/KOC (pH 5.5): 1552.60
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 843.31
ACD/KOC (pH 7.4): 4297.01
Polar Surface Area: 125 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 384.7±3.0 cm3

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