Found 33 results

Search term: MF = 'C_{33}H_{44}N_{6}O_{4}'
ChemSpider 2D Image | N-Benzyl-1-{2-isopropyl-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-L-prolinamide | C33H44N6O4

N-Benzyl-1-{2-isopropyl-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-L-prolinamide

  • Molecular FormulaC33H44N6O4
  • Average mass588.740 Da
  • Monoisotopic mass588.342407 Da
  • ChemSpider ID121934399

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, 1-[2-(1-methylethyl)-6-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-4-pyrimidinyl]-N-(phenylmethyl)-, (2S)- [ACD/Index Name]
N-Benzyl-1-{2-isopropyl-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-Benzyl-1-{2-isopropyl-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-L-prolinamide [ACD/IUPAC Name]
N-Benzyl-1-{2-isopropyl-6-[4-(2,3,4-triméthoxybenzyl)-1-pipérazinyl]-4-pyrimidinyl}-L-prolinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 766.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.5±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 167.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.80
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 9.40
Polar Surface Area: 92 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 494.9±3.0 cm3

Click to predict properties on the Chemicalize site


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