ChemSpider 2D Image | 2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE | C23H28N8O3S2

2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE

  • Molecular FormulaC23H28N8O3S2
  • Average mass528.650 Da
  • Monoisotopic mass528.172607 Da
  • ChemSpider ID5257031

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1(6H)-Pyrimidineacetamide, N-[(1S)-4-[(diaminomethylene)amino]-1-(2-thiazolylcarbonyl)butyl]-2-(methylthio)-6-oxo-5-[(phenylmethyl)amino]- [ACD/Index Name]
2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE
2-[5-(Benzylamino)-2-(methylsulfanyl)-6-oxo-1(6H)-pyrimidinyl]-N-[(2S)-5-[(diaminomethylen)amino]-1-oxo-1-(1,3-thiazol-2-yl)-2-pentanyl]acetamid [German] [ACD/IUPAC Name]
2-[5-(Benzylamino)-2-(methylsulfanyl)-6-oxo-1(6H)-pyrimidinyl]-N-[(2S)-5-[(diaminomethylene)amino]-1-oxo-1-(1,3-thiazol-2-yl)-2-pentanyl]acetamide [ACD/IUPAC Name]
2-[5-(Benzylamino)-2-(méthylsulfanyl)-6-oxo-1(6H)-pyrimidinyl]-N-[(2S)-5-[(diaminométhylène)amino]-1-oxo-1-(1,3-thiazol-2-yl)-2-pentanyl]acétamide [French] [ACD/IUPAC 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: 1.706
Molar Refractivity: 142.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 64.6±7.0 dyne/cm
Molar Volume: 364.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement