Found 35 results

Search term: MF = 'C_{18}H_{20}N_{2}O_{6}S_{3}'
ChemSpider 2D Image | N-({7-[(Methylsulfonyl)amino]dibenzo[b,d]thiophen-2-yl}sulfonyl)valine | C18H20N2O6S3

N-({7-[(Methylsulfonyl)amino]dibenzo[b,d]thiophen-2-yl}sulfonyl)valine

  • Molecular FormulaC18H20N2O6S3
  • Average mass456.556 Da
  • Monoisotopic mass456.048340 Da
  • ChemSpider ID24620455

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-({7-[(Methylsulfonyl)amino]dibenzo[b,d]thiophen-2-yl}sulfonyl)valin [German] [ACD/IUPAC Name]
N-({7-[(Methylsulfonyl)amino]dibenzo[b,d]thiophen-2-yl}sulfonyl)valine [ACD/IUPAC Name]
N-({7-[(Méthylsulfonyl)amino]dibenzo[b,d]thiophén-2-yl}sulfonyl)valine [French] [ACD/IUPAC Name]
Valine, N-[[7-[(methylsulfonyl)amino]dibenzo[b,d]thien-2-yl]sulfonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 709.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 382.8±35.7 °C
Index of Refraction: 1.688
Molar Refractivity: 114.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 299.6±3.0 cm3

Click to predict properties on the Chemicalize site


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