ChemSpider 2D Image | 5-(2-{[4-(Dimethylcarbamoyl)phenyl]amino}-4-methoxy-5-pyrimidinyl)-3-thiophenecarboxylic acid | C19H18N4O4S

5-(2-{[4-(Dimethylcarbamoyl)phenyl]amino}-4-methoxy-5-pyrimidinyl)-3-thiophenecarboxylic acid

  • Molecular FormulaC19H18N4O4S
  • Average mass398.436 Da
  • Monoisotopic mass398.104889 Da
  • ChemSpider ID35033502

More details:

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

3-Thiophenecarboxylic acid, 5-[2-[[4-[(dimethylamino)carbonyl]phenyl]amino]-4-methoxy-5-pyrimidinyl]- [ACD/Index Name]
5-(2-{[4-(Dimethylcarbamoyl)phenyl]amino}-4-methoxy-5-pyrimidinyl)-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(2-{[4-(Dimethylcarbamoyl)phenyl]amino}-4-methoxy-5-pyrimidinyl)-3-thiophenecarboxylic acid [ACD/IUPAC Name]
5-(2-{[4-(Dimethylcarbamoyl)phenyl]amino}-4-Methoxypyrimidin-5-Yl)thiophene-3-Carboxylic Acid
Acide 5-(2-{[4-(diméthylcarbamoyl)phényl]amino}-4-méthoxy-5-pyrimidinyl)-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
0XG

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

Density: 1.4±0.1 g/cm3
Boiling Point: 659.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.4±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.43
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 288.5±3.0 cm3

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