ChemSpider 2D Image | Ethyl 4-[(2,4-dichloro-5-pyrimidinyl)(6-oxo-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-3-oxobutanoate | C14H13Cl2N5O4S

Ethyl 4-[(2,4-dichloro-5-pyrimidinyl)(6-oxo-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-3-oxobutanoate

  • Molecular FormulaC14H13Cl2N5O4S
  • Average mass418.255 Da
  • Monoisotopic mass417.006531 Da
  • ChemSpider ID102756185

More details:

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

4-[(2,4-Dichloro-5-pyrimidinyl)(6-oxo-2-thioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)amino]-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(2,4-dichloro-5-pyrimidinyl)(1,2,3,6-tetrahydro-6-oxo-2-thioxo-4-pyrimidinyl)amino]-3-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-[(2,4-dichloro-5-pyrimidinyl)(6-oxo-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-3-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-[(2,4-dichlor-5-pyrimidinyl)(6-oxo-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)amino]-3-oxobutanoat [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.664
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 64.45
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.48
Polar Surface Area: 146 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 85.2±5.0 dyne/cm
Molar Volume: 259.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement