ChemSpider 2D Image | 2-(2-(3,4-DICHLOROPHENYL)-5-(ISOPROPYLAMINO)-6-OXOPYRIMIDIN-1(6H)-YL)-N-((S)-1-OXO-1-(THIAZOL-2-YL)-5-GUANIDINOPENTAN-2-YL)ACETAMIDE | C24H28Cl2N8O3S

2-(2-(3,4-DICHLOROPHENYL)-5-(ISOPROPYLAMINO)-6-OXOPYRIMIDIN-1(6H)-YL)-N-((S)-1-OXO-1-(THIAZOL-2-YL)-5-GUANIDINOPENTAN-2-YL)ACETAMIDE

  • Molecular FormulaC24H28Cl2N8O3S
  • Average mass579.502 Da
  • Monoisotopic mass578.138184 Da
  • ChemSpider ID5257029

  • 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-(3,4-dichlorophenyl)-5-[(1-methylethyl)amino]-6-oxo- [ACD/Index Name]
2-(2-(3,4-DICHLOROPHENYL)-5-(ISOPROPYLAMINO)-6-OXOPYRIMIDIN-1(6H)-YL)-N-((S)-1-OXO-1-(THIAZOL-2-YL)-5-GUANIDINOPENTAN-2-YL)ACETAMIDE
N-[(2S)-5-[(Diaminomethylen)amino]-1-oxo-1-(1,3-thiazol-2-yl)-2-pentanyl]-2-[2-(3,4-dichlorphenyl)-5-(isopropylamino)-6-oxo-1(6H)-pyrimidinyl]acetamid [German] [ACD/IUPAC Name]
N-[(2S)-5-[(Diaminomethylene)amino]-1-oxo-1-(1,3-thiazol-2-yl)-2-pentanyl]-2-[2-(3,4-dichlorophenyl)-5-(isopropylamino)-6-oxo-1(6H)-pyrimidinyl]acetamide [ACD/IUPAC Name]
N-[(2S)-5-[(Diaminométhylène)amino]-1-oxo-1-(1,3-thiazol-2-yl)-2-pentanyl]-2-[2-(3,4-dichlorophényl)-5-(isopropylamino)-6-oxo-1(6H)-pyrimidinyl]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: 1.696
Molar Refractivity: 147.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.64
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.64
Polar Surface Area: 196 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 383.9±7.0 cm3

Click to predict properties on the Chemicalize site


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