ChemSpider 2D Image | 3,3'-{[(4S,5S,6S)-4-Benzyl-5-hydroxy-2-oxo-6-(2-phenylethyl)dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}dibenzamide | C35H36N4O4

3,3'-{[(4S,5S,6S)-4-Benzyl-5-hydroxy-2-oxo-6-(2-phenylethyl)dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}dibenzamide

  • Molecular FormulaC35H36N4O4
  • Average mass576.685 Da
  • Monoisotopic mass576.273682 Da
  • ChemSpider ID410389

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3,3'-{[(4S,5S,6S)-4-Benzyl-5-hydroxy-2-oxo-6-(2-phenylethyl)dihydropyrimidin-1,3(2H,4H)-diyl]dimethylen}dibenzamid [German] [ACD/IUPAC Name]
3,3'-{[(4S,5S,6S)-4-Benzyl-5-hydroxy-2-oxo-6-(2-phenylethyl)dihydropyrimidine-1,3(2H,4H)-diyl]bis(methylene)}dibenzamide [ACD/IUPAC Name]
3,3'-{[(4S,5S,6S)-4-Benzyl-5-hydroxy-2-oxo-6-(2-phényléthyl)dihydropyrimidine-1,3(2H,4H)-diyl]diméthylène}dibenzamide [French] [ACD/IUPAC Name]
Benzamide, 3,3'-[[(4S,5S,6S)-dihydro-5-hydroxy-2-oxo-4-(2-phenylethyl)-6-(phenylmethyl)-1,3(2H,4H)-pyrimidinediyl]bis(methylene)]bis- [ACD/Index Name]
(4S,5S,6S)-Tetrahydro-1,3-bis[(3-benzamide)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone
3-[6-benzyl-3-(3-carbamoylbenzyl)-5-hydroxy-2-oxo-4-phenethyl-(4S,5S,6S)-hexahydro-1-pyrimidinylmethyl]benzamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL297133/

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

AIDS050828 [DBID]
AIDS-050828 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 818.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 448.6±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 166.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 875.15
ACD/KOC (pH 5.5): 4441.65
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 875.15
ACD/KOC (pH 7.4): 4441.65
Polar Surface Area: 130 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 452.6±3.0 cm3

Click to predict properties on the Chemicalize site


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