ChemSpider 2D Image | [3-{[(Cyclohexylmethyl)sulfonyl]amino}-6-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethylphenyl][(2-methyl-2-propanyl)oxy]acetic acid | C30H41NO6S

[3-{[(Cyclohexylmethyl)sulfonyl]amino}-6-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethylphenyl][(2-methyl-2-propanyl)oxy]acetic acid

  • Molecular FormulaC30H41NO6S
  • Average mass543.715 Da
  • Monoisotopic mass543.265442 Da
  • ChemSpider ID34519408

More details:

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

[3-{[(Cyclohexylmethyl)sulfonyl]amino}-6-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethylphenyl][(2-methyl-2-propanyl)oxy]acetic acid [ACD/IUPAC Name]
[3-{[(Cyclohexylmethyl)sulfonyl]amino}-6-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethylphenyl][(2-methyl-2-propanyl)oxy]essigsäure [German] [ACD/IUPAC Name]
Acide [3-{[(cyclohexylméthyl)sulfonyl]amino}-6-(3,4-dihydro-2H-chromén-6-yl)-2,5-diméthylphényl][(2-méthyl-2-propanyl)oxy]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[[(cyclohexylmethyl)sulfonyl]amino]-6-(3,4-dihydro-2H-1-benzopyran-6-yl)-α-(1,1-dimethylethoxy)-2,5-dimethyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 673.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 361.2±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 217.84
ACD/KOC (pH 5.5): 308.11
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 16.36
ACD/KOC (pH 7.4): 23.15
Polar Surface Area: 110 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 448.7±3.0 cm3

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