ChemSpider 2D Image | Ethyl 2-({[4-(1H-imidazol-2-ylmethyl)-1-piperazinyl]acetyl}amino)-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylate | C20H28N6O4S

Ethyl 2-({[4-(1H-imidazol-2-ylmethyl)-1-piperazinyl]acetyl}amino)-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylate

  • Molecular FormulaC20H28N6O4S
  • Average mass448.539 Da
  • Monoisotopic mass448.189270 Da
  • ChemSpider ID30220427

More details:

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

2-({2-[4-(1H-Imidazol-2-ylméthyl)-1-pipérazinyl]acétyl}amino)-4-méthyl-5-(méthylcarbamoyl)-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[2-[4-(1H-imidazol-2-ylmethyl)-1-piperazinyl]acetyl]amino]-4-methyl-5-[(methylamino)carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 2-({[4-(1H-imidazol-2-ylmethyl)-1-piperazinyl]acetyl}amino)-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-({[4-(1H-imidazol-2-ylmethyl)-1-piperazinyl]acetyl}amino)-4-methyl-5-(methylcarbamoyl)-3-thiophencarboxylat [German] [ACD/IUPAC Name]
ETHYL 2-(2-{4-[(1H-IMIDAZOL-2-YL)METHYL]PIPERAZIN-1-YL}ACETAMIDO)-4-METHYL-5-(METHYLCARBAMOYL)THIOPHENE-3-CARBOXYLATE
ETHYL 2-{2-[4-(1H-IMIDAZOL-2-YLMETHYL)PIPERAZIN-1-YL]ACETAMIDO}-4-METHYL-5-(METHYLCARBAMOYL)THIOPHENE-3-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 682.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 119.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 48.01
Polar Surface Area: 148 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 337.5±3.0 cm3

Click to predict properties on the Chemicalize site


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