ChemSpider 2D Image | 1-{2-[Benzyl(2-naphthylmethyl)amino]ethyl} 5-isopropyl 2,4-dimethyl-6-(2-nitrophenyl)-1,5(6H)-pyrimidinedicarboxylate | C37H38N4O6

1-{2-[Benzyl(2-naphthylmethyl)amino]ethyl} 5-isopropyl 2,4-dimethyl-6-(2-nitrophenyl)-1,5(6H)-pyrimidinedicarboxylate

  • Molecular FormulaC37H38N4O6
  • Average mass634.721 Da
  • Monoisotopic mass634.279114 Da
  • ChemSpider ID23169643

More details:

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

1,5(6H)-Pyrimidinedicarboxylic acid, 2,4-dimethyl-6-(2-nitrophenyl)-, 5-(1-methylethyl) 1-[2-[(2-naphthalenylmethyl)(phenylmethyl)amino]ethyl] ester [ACD/Index Name]
1-{2-[Benzyl(2-naphthylmethyl)amino]ethyl} 5-isopropyl 2,4-dimethyl-6-(2-nitrophenyl)-1,5(6H)-pyrimidinedicarboxylate [ACD/IUPAC Name]
1-{2-[Benzyl(2-naphthylmethyl)amino]ethyl}-5-isopropyl-2,4-dimethyl-6-(2-nitrophenyl)-1,5(6H)-pyrimidindicarboxylat [German] [ACD/IUPAC Name]
1-{2-[benzyl(naphthalen-2-ylmethyl)amino]ethyl} 5-propan-2-yl 2,4-dimethyl-6-(2-nitrophenyl)pyrimidine-1,5(6H)-dicarboxylate
2,4-Diméthyl-6-(2-nitrophényl)-1,5(6H)-pyrimidinedicarboxylate de 1-{2-[benzyl(2-naphtylméthyl)amino]éthyle} et de 5-isopropyle [French] [ACD/IUPAC Name]
2,4-Dimethyl-6-(2-nitro-phenyl)-6H-pyrimidine-1,5-dicarboxylic acid 1-[2-(benzyl-naphthalen-2-ylmethyl-amino)-ethyl] ester 5-isopropyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL310953/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 723.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.6±35.7 °C
Index of Refraction: 1.612
Molar Refractivity: 180.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 13631.33
ACD/KOC (pH 5.5): 17549.22
ACD/LogD (pH 7.4): 6.89
ACD/BCF (pH 7.4): 100296.12
ACD/KOC (pH 7.4): 129123.08
Polar Surface Area: 117 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 520.0±7.0 cm3

Click to predict properties on the Chemicalize site


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