ChemSpider 2D Image | Diethyl {4-[(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-3-oxo-3-{[2-(4-sulfamoylphenyl)ethyl]amino}propyl]phenoxy}malonate | C29H37N3O11S

Diethyl {4-[(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-3-oxo-3-{[2-(4-sulfamoylphenyl)ethyl]amino}propyl]phenoxy}malonate

  • Molecular FormulaC29H37N3O11S
  • Average mass635.683 Da
  • Monoisotopic mass635.214905 Da
  • ChemSpider ID9094543

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{4-[(2S)-2-[(4-Méthoxy-4-oxobutanoyl)amino]-3-oxo-3-{[2-(4-sulfamoylphényl)éthyl]amino}propyl]phénoxy}malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {4-[(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-3-oxo-3-{[2-(4-sulfamoylphenyl)ethyl]amino}propyl]phenoxy}malonate [ACD/IUPAC Name]
Diethyl-{4-[(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-3-oxo-3-{[2-(4-sulfamoylphenyl)ethyl]amino}propyl]phenoxy}malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[4-[(2S)-3-[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]-2-[(4-methoxy-1,4-dioxobutyl)amino]-3-oxopropyl]phenoxy]-, diethyl 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: 1.556
Molar Refractivity: 157.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.36
ACD/KOC (pH 5.5): 159.06
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.34
ACD/KOC (pH 7.4): 158.77
Polar Surface Area: 215 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 490.1±3.0 cm3

Click to predict properties on the Chemicalize site


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