ChemSpider 2D Image | (2R)-N-[(2R,4R,5R)-5-({[(2,6-Dimethylphenyl)sulfanyl]acetyl}amino)-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide | C37H48N4O4S

(2R)-N-[(2R,4R,5R)-5-({[(2,6-Dimethylphenyl)sulfanyl]acetyl}amino)-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide

  • Molecular FormulaC37H48N4O4S
  • Average mass644.866 Da
  • Monoisotopic mass644.339600 Da
  • ChemSpider ID23116156

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-N-[(2R,4R,5R)-5-({[(2,6-Dimethylphenyl)sulfanyl]acetyl}amino)-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamid [German] [ACD/IUPAC Name]
(2R)-N-[(2R,4R,5R)-5-({[(2,6-Dimethylphenyl)sulfanyl]acetyl}amino)-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide [ACD/IUPAC Name]
(2R)-N-[(2R,4R,5R)-5-({2-[(2,6-Diméthylphényl)sulfanyl]acétyl}amino)-4-hydroxy-1,6-diphényl-2-hexanyl]-3-méthyl-2-(2-oxotétrahydro-1(2H)-pyrimidinyl)butanamide [French] [ACD/IUPAC Name]
1(2H)-Pyrimidineacetamide, N-[(1R,3R,4R)-4-[[2-[(2,6-dimethylphenyl)thio]acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-, (αR)- [ACD/Index Name]
(2R)-N-[(2R,4R,5R)-5-({[(2,6-dimethylphenyl)sulfanyl]acetyl}amino)-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide
(R)-N-{(1R,3R,4R)-1-Benzyl-4-[2-(2,6-dimethyl-phenylsulfanyl)-acetylamino]-3-hydroxy-5-phenyl-pentyl}-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 941.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.5±3.0 kJ/mol
Flash Point: 523.0±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 186.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11844.41
ACD/KOC (pH 5.5): 28668.79
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11844.41
ACD/KOC (pH 7.4): 28668.79
Polar Surface Area: 136 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 530.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement