Found 20 results

Search term: MF = 'C_{17}H_{18}Cl_{2}N_{6}O_{4}'
ChemSpider 2D Image | Ethyl 4-{2-[(3,4-dichlorophenyl)amino]-5-nitro-4-pyrimidinyl}-1-piperazinecarboxylate | C17H18Cl2N6O4

Ethyl 4-{2-[(3,4-dichlorophenyl)amino]-5-nitro-4-pyrimidinyl}-1-piperazinecarboxylate

  • Molecular FormulaC17H18Cl2N6O4
  • Average mass441.269 Da
  • Monoisotopic mass440.076660 Da
  • ChemSpider ID124354866

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[(3,4-dichlorophenyl)amino]-5-nitro-4-pyrimidinyl]-, ethyl ester [ACD/Index Name]
4-{2-[(3,4-Dichlorophényl)amino]-5-nitro-4-pyrimidinyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{2-[(3,4-dichlorophenyl)amino]-5-nitro-4-pyrimidinyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{2-[(3,4-dichlorphenyl)amino]-5-nitro-4-pyrimidinyl}-1-piperazincarboxylat [German] [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: 626.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.7±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 554.01
ACD/KOC (pH 5.5): 3197.41
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 556.74
ACD/KOC (pH 7.4): 3213.16
Polar Surface Area: 116 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 295.1±3.0 cm3

Click to predict properties on the Chemicalize site


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