ChemSpider 2D Image | 4-{N-[(4-Bromophenyl)sulfonyl]-beta-alanyl}-2-morpholinecarboxamide | C14H18BrN3O5S

4-{N-[(4-Bromophenyl)sulfonyl]-β-alanyl}-2-morpholinecarboxamide

  • Molecular FormulaC14H18BrN3O5S
  • Average mass420.279 Da
  • Monoisotopic mass419.015045 Da
  • ChemSpider ID34347219

More details:

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

2-Morpholinecarboxamide, 4-[3-[[(4-bromophenyl)sulfonyl]amino]-1-oxopropyl]- [ACD/Index Name]
4-{N-[(4-Bromophenyl)sulfonyl]-β-alanyl}-2-morpholinecarboxamide [ACD/IUPAC Name]
4-{N-[(4-Bromophényl)sulfonyl]-β-alanyl}-2-morpholinecarboxamide [French] [ACD/IUPAC Name]
4-{N-[(4-Bromphenyl)sulfonyl]-β-alanyl}-2-morpholincarboxamid [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 684.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.9±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 91.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.02
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.98
Polar Surface Area: 127 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 265.9±3.0 cm3

Click to predict properties on the Chemicalize site


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