ChemSpider 2D Image | [2-Bromo-5-(4-{[(2,4-difluorobenzyl){2-methyl-3-[(methylsulfonyl)amino]phenyl}amino]methyl}phenoxy)phenoxy]acetic acid | C30H27BrF2N2O6S

[2-Bromo-5-(4-{[(2,4-difluorobenzyl){2-methyl-3-[(methylsulfonyl)amino]phenyl}amino]methyl}phenoxy)phenoxy]acetic acid

  • Molecular FormulaC30H27BrF2N2O6S
  • Average mass661.511 Da
  • Monoisotopic mass660.074097 Da
  • ChemSpider ID9448840

More details:

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

[2-Brom-5-(4-{[(2,4-difluorbenzyl){2-methyl-3-[(methylsulfonyl)amino]phenyl}amino]methyl}phenoxy)phenoxy]essigsäure [German] [ACD/IUPAC Name]
[2-Bromo-5-(4-{[(2,4-difluorobenzyl){2-methyl-3-[(methylsulfonyl)amino]phenyl}amino]methyl}phenoxy)phenoxy]acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[2-bromo-5-[4-[[[(2,4-difluorophenyl)methyl][2-methyl-3-[(methylsulfonyl)amino]phenyl]amino]methyl]phenoxy]phenoxy]- [ACD/Index Name]
Acide [2-bromo-5-(4-{[(2,4-difluorobenzyl){2-méthyl-3-[(méthylsulfonyl)amino]phényl}amino]méthyl}phénoxy)phénoxy]acétique [French] [ACD/IUPAC Name]
[2-Bromo-5-(4-{[(2,4-difluoro-benzyl)-(3-methanesulfonylamino-2-methyl-phenyl)-amino]-methyl}-phenoxy)-phenoxy]-acetic acid
GR sulfonamide modulator, 13

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

Density: 1.5±0.1 g/cm3
Boiling Point: 753.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.4±35.7 °C
Index of Refraction: 1.645
Molar Refractivity: 158.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 77.69
ACD/KOC (pH 5.5): 156.40
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 4.80
ACD/KOC (pH 7.4): 9.67
Polar Surface Area: 114 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 435.9±3.0 cm3

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