ChemSpider 2D Image | Methyl (2Z)-4-(cyclohexylamino)-3-({4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}amino)-4-oxo-2-butenoate | C23H29N5O7S

Methyl (2Z)-4-(cyclohexylamino)-3-({4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}amino)-4-oxo-2-butenoate

  • Molecular FormulaC23H29N5O7S
  • Average mass519.571 Da
  • Monoisotopic mass519.178772 Da
  • ChemSpider ID17581665

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4-(Cyclohexylamino)-3-({4-[(2,6-diméthoxy-4-pyrimidinyl)sulfamoyl]phényl}amino)-4-oxo-2-buténoate de méthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 4-(cyclohexylamino)-3-[[4-[[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl]phenyl]amino]-4-oxo-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-4-(cyclohexylamino)-3-({4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}amino)-4-oxo-2-butenoate [ACD/IUPAC Name]
Methyl (2Z)-4-(cyclohexylamino)-3-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}amino)-4-oxobut-2-enoate
Methyl-(2Z)-4-(cyclohexylamino)-3-({4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}amino)-4-oxo-2-butenoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 4.81
ACD/KOC (pH 5.5): 71.92
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.06
Polar Surface Area: 166 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 374.7±5.0 cm3

Click to predict properties on the Chemicalize site


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