ChemSpider 2D Image | 3-Methylbutyl ({4-[2-({4-[(methylsulfonyl)methyl]benzoyl}amino)ethyl]phenyl}sulfonyl)carbamate | C23H30N2O7S2

3-Methylbutyl ({4-[2-({4-[(methylsulfonyl)methyl]benzoyl}amino)ethyl]phenyl}sulfonyl)carbamate

  • Molecular FormulaC23H30N2O7S2
  • Average mass510.624 Da
  • Monoisotopic mass510.149445 Da
  • ChemSpider ID66741682

More details:

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

({4-[2-({4-[(Méthylsulfonyl)méthyl]benzoyl}amino)éthyl]phényl}sulfonyl)carbamate de 3-méthylbutyle [French] [ACD/IUPAC Name]
3-Methylbutyl ({4-[2-({4-[(methylsulfonyl)methyl]benzoyl}amino)ethyl]phenyl}sulfonyl)carbamate [ACD/IUPAC Name]
3-Methylbutyl-({4-[2-({4-[(methylsulfonyl)methyl]benzoyl}amino)ethyl]phenyl}sulfonyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[4-[2-[[4-[(methylsulfonyl)methyl]benzoyl]amino]ethyl]phenyl]sulfonyl]-, 3-methylbutyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.563
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 3.58
ACD/KOC (pH 5.5): 50.82
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.03
Polar Surface Area: 152 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 397.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement