ChemSpider 2D Image | Isopropyl 2-{[3-({(2-methoxyethyl)[(2-methyl-2-propanyl)carbamoyl]amino}methyl)phenoxy]sulfonyl}benzoate | C25H34N2O7S

Isopropyl 2-{[3-({(2-methoxyethyl)[(2-methyl-2-propanyl)carbamoyl]amino}methyl)phenoxy]sulfonyl}benzoate

  • Molecular FormulaC25H34N2O7S
  • Average mass506.612 Da
  • Monoisotopic mass506.208679 Da
  • ChemSpider ID29259826

More details:

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

2-{[3-({(2-Méthoxyéthyl)[(2-méthyl-2-propanyl)carbamoyl]amino}méthyl)phénoxy]sulfonyl}benzoate d'isopropyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[3-[[[[(1,1-dimethylethyl)amino]carbonyl](2-methoxyethyl)amino]methyl]phenoxy]sulfonyl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 2-{[3-({(2-methoxyethyl)[(2-methyl-2-propanyl)carbamoyl]amino}methyl)phenoxy]sulfonyl}benzoate [ACD/IUPAC Name]
Isopropyl-2-{[3-({(2-methoxyethyl)[(2-methyl-2-propanyl)carbamoyl]amino}methyl)phenoxy]sulfonyl}benzoat [German] [ACD/IUPAC 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: 680.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.1±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 615.82
ACD/KOC (pH 5.5): 3453.75
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 615.82
ACD/KOC (pH 7.4): 3453.75
Polar Surface Area: 120 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 422.3±3.0 cm3

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