ChemSpider 2D Image | N-Acetyl-6-amino-N-(2-aminoethyl)-4-(4-chloro-3-nitrophenyl)-3-methyl-1-(4-methylbenzyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide | C26H27ClN6O5

N-Acetyl-6-amino-N-(2-aminoethyl)-4-(4-chloro-3-nitrophenyl)-3-methyl-1-(4-methylbenzyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide

  • Molecular FormulaC26H27ClN6O5
  • Average mass538.983 Da
  • Monoisotopic mass538.173157 Da
  • ChemSpider ID119864491

More details:

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

N-Acetyl-6-amino-N-(2-aminoethyl)-4-(4-chlor-3-nitrophenyl)-3-methyl-1-(4-methylbenzyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
N-Acetyl-6-amino-N-(2-aminoethyl)-4-(4-chloro-3-nitrophenyl)-3-methyl-1-(4-methylbenzyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
N-Acétyl-6-amino-N-(2-aminoéthyl)-4-(4-chloro-3-nitrophényl)-3-méthyl-1-(4-méthylbenzyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carboxamide, N-acetyl-6-amino-N-(2-aminoethyl)-4-(4-chloro-3-nitrophenyl)-1,4-dihydro-3-methyl-1-[(4-methylphenyl)methyl]- [ACD/Index 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: 713.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.5±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 139.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.14
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 35.06
ACD/KOC (pH 7.4): 333.72
Polar Surface Area: 162 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 369.4±7.0 cm3

Click to predict properties on the Chemicalize site


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