Found 33 results

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

N-Benzyl-N-{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 ID121934377

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[2-(1-methylethyl)-6-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-4-pyrimidinyl]-N-(phenylmethyl)-, (2S)- [ACD/Index Name]
N-Benzyl-N-{2-isopropyl-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-Benzyl-N-{2-isopropyl-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-L-prolinamide [ACD/IUPAC Name]
N-Benzyl-N-{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: 721.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.1±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 168.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 62.53
ACD/KOC (pH 7.4): 410.24
Polar Surface Area: 92 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 492.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement