ChemSpider 2D Image | Ethyl 6-{4-[(17,17-dimethyl-15-oxo-3,6,9,12,16-pentaoxaoctadec-1-yl)carbamoyl]phenyl}-4-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C30H45N3O9S

Ethyl 6-{4-[(17,17-dimethyl-15-oxo-3,6,9,12,16-pentaoxaoctadec-1-yl)carbamoyl]phenyl}-4-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC30H45N3O9S
  • Average mass623.758 Da
  • Monoisotopic mass623.287659 Da
  • ChemSpider ID102475132

More details:

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

5-Pyrimidinecarboxylic acid, 6-[4-(19,19-dimethyl-1,17-dioxo-5,8,11,14,18-pentaoxa-2-azaeicos-1-yl)phenyl]-1,2,3,4-tetrahydro-4-methyl-2-thioxo-, ethyl ester [ACD/Index Name]
6-{4-[(17,17-Diméthyl-15-oxo-3,6,9,12,16-pentaoxaoctadéc-1-yl)carbamoyl]phényl}-4-méthyl-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{4-[(17,17-dimethyl-15-oxo-3,6,9,12,16-pentaoxaoctadec-1-yl)carbamoyl]phenyl}-4-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{4-[(17,17-dimethyl-15-oxo-3,6,9,12,16-pentaoxaoctadec-1-yl)carbamoyl]phenyl}-4-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 164.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.82
ACD/KOC (pH 5.5): 562.72
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.80
ACD/KOC (pH 7.4): 562.57
Polar Surface Area: 175 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 509.3±5.0 cm3

Click to predict properties on the Chemicalize site


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