ChemSpider 2D Image | (6R)-6-(2-Bromophenyl)-N-(2-ethoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxamide | C20H20BrN3O2S

(6R)-6-(2-Bromophenyl)-N-(2-ethoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxamide

  • Molecular FormulaC20H20BrN3O2S
  • Average mass446.361 Da
  • Monoisotopic mass445.045959 Da
  • ChemSpider ID62625140

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-(2-Bromophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide [ACD/IUPAC Name]
(4R)-4-(2-Bromophényl)-N-(2-éthoxyphényl)-6-méthyl-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
(4R)-4-(2-Bromphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
(6R)-6-(2-Bromophenyl)-N-(2-ethoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxamide [ACD/IUPAC Name]
(6R)-6-(2-Bromophényl)-N-(2-éthoxyphényl)-4-méthyl-2-sulfanyl-1,6-dihydro-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
(6R)-6-(2-Bromphenyl)-N-(2-ethoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydro-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
5-Pyrimidinecarboxamide, 4-(2-bromophenyl)-N-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, (4R)- [ACD/Index Name]
5-Pyrimidinecarboxamide, 6-(2-bromophenyl)-N-(2-ethoxyphenyl)-1,6-dihydro-2-mercapto-4-methyl-, (6R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 113.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 6.95
ACD/KOC (pH 5.5): 27.17
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 6.95
ACD/KOC (pH 7.4): 27.17
Polar Surface Area: 102 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 306.3±7.0 cm3

Click to predict properties on the Chemicalize site


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