ChemSpider 2D Image | (4-(4-((benzyl(2-methyl-3-((methylsulfonyl)amino)phenyl)amino)methyl)phenoxy)phenoxy)acetic acid | C30H30N2O6S

(4-(4-((benzyl(2-methyl-3-((methylsulfonyl)amino)phenyl)amino)methyl)phenoxy)phenoxy)acetic acid

  • Molecular FormulaC30H30N2O6S
  • Average mass546.634 Da
  • Monoisotopic mass546.182434 Da
  • ChemSpider ID9585093

More details:

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

(4-(4-((benzyl(2-methyl-3-((methylsulfonyl)amino)phenyl)amino)methyl)phenoxy)phenoxy)acetic acid
(4-{4-[(Benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)acetic acid [ACD/IUPAC Name]
(4-{4-[(Benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-[4-[[[2-methyl-3-[(methylsulfonyl)amino]phenyl](phenylmethyl)amino]methyl]phenoxy]phenoxy]- [ACD/Index Name]
Acide (4-{4-[(benzyl{2-méthyl-3-[(méthylsulfonyl)amino]phényl}amino)méthyl]phénoxy}phénoxy)acétique [French] [ACD/IUPAC Name]
[4-(4-{[Benzyl-(3-methanesulfonylamino-2-methyl-phenyl)-amino]-methyl}-phenoxy)-phenoxy]-acetic acid
GR sulfonamide modulator, 14

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

Density: 1.3±0.1 g/cm3
Boiling Point: 732.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.5±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 150.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 44.07
ACD/KOC (pH 5.5): 116.57
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 2.04
ACD/KOC (pH 7.4): 5.39
Polar Surface Area: 114 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 411.3±3.0 cm3

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