ChemSpider 2D Image | 2-{[(4-{[(4-Acetamido-1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-N-[3-(dimethylamino)propyl]-5-isopropyl-1,3-thiazole-4-carboxamide | C25H35N9O4S

2-{[(4-{[(4-Acetamido-1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-N-[3-(dimethylamino)propyl]-5-isopropyl-1,3-thiazole-4-carboxamide

  • Molecular FormulaC25H35N9O4S
  • Average mass557.668 Da
  • Monoisotopic mass557.253296 Da
  • ChemSpider ID8393898

More details:

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

2-{[(4-{[(4-Acetamido-1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-N-[3-(dimethylamino)propyl]-5-isopropyl-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
2-{[(4-{[(4-Acetamido-1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-N-[3-(dimethylamino)propyl]-5-isopropyl-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
2-{[(4-{[(4-Acétamido-1-méthyl-1H-imidazol-2-yl)carbonyl]amino}-1-méthyl-1H-pyrrol-2-yl)carbonyl]amino}-N-[3-(diméthylamino)propyl]-5-isopropyl-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, 2-[[[4-[[[4-(acetylamino)-1-methyl-1H-imidazol-2-yl]carbonyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[3-(dimethylamino)propyl]-5-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 150.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -2.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 407.0±7.0 cm3

Click to predict properties on the Chemicalize site


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