ChemSpider 2D Image | 4-({[5-Chloro-2-(ethylsulfanyl)-4-pyrimidinyl]carbonyl}amino)butanoic acid | C11H14ClN3O3S

4-({[5-Chloro-2-(ethylsulfanyl)-4-pyrimidinyl]carbonyl}amino)butanoic acid

  • Molecular FormulaC11H14ClN3O3S
  • Average mass303.765 Da
  • Monoisotopic mass303.044434 Da
  • ChemSpider ID24758214

More details:

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

4-({[5-Chlor-2-(ethylsulfanyl)-4-pyrimidinyl]carbonyl}amino)butansäure [German] [ACD/IUPAC Name]
4-({[5-Chloro-2-(ethylsulfanyl)-4-pyrimidinyl]carbonyl}amino)butanoic acid [ACD/IUPAC Name]
Acide 4-({[5-chloro-2-(éthylsulfanyl)-4-pyrimidinyl]carbonyl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[5-chloro-2-(ethylthio)-4-pyrimidinyl]carbonyl]amino]- [ACD/Index Name]
1206144-62-8 [RN]
4-({[5-chloro-2-(ethylsulfanyl)pyrimidin-4-yl]carbonyl}amino)butanoic acid
4-(5-chloro-2-(ethylthio)pyrimidine-4-carboxamido)butanoic acid
4-[(5-chloro-2-ethylthiopyrimidin-4-yl)carbonylamino]butanoic acid
4-{[5-chloro-2-(ethylsulfanyl)pyrimidin-4-yl]formamido}butanoic acid

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

Density: 1.4±0.0 g/cm3
Boiling Point: 564.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 89.2±0.0 kJ/mol
Flash Point: 295.0±0.0 °C
Index of Refraction: 1.596
Molar Refractivity: 73.0±0.0 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 20.13
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 28.9±0.0 10-24cm3
Surface Tension: 68.9±0.0 dyne/cm
Molar Volume: 214.7±0.0 cm3

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