Found 301 results

Search term: MF = 'C_{29}H_{30}ClN_{5}O_{4}'
ChemSpider 2D Image | Nalpha-{[4-(2-Aminobenzoyl)-2-oxo-1-piperazinyl]acetyl}-N-(4-chlorophenyl)-N-methyl-L-phenylalaninamide | C29H30ClN5O4

Nα-{[4-(2-Aminobenzoyl)-2-oxo-1-piperazinyl]acetyl}-N-(4-chlorophenyl)-N-methyl-L-phenylalaninamide

  • Molecular FormulaC29H30ClN5O4
  • Average mass548.033 Da
  • Monoisotopic mass547.198608 Da
  • ChemSpider ID116085112

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazineacetamide, 4-(2-aminobenzoyl)-N-[(1S)-2-[(4-chlorophenyl)methylamino]-2-oxo-1-(phenylmethyl)ethyl]-2-oxo- [ACD/Index Name]
Nα-{[4-(2-Aminobenzoyl)-2-oxo-1-piperazinyl]acetyl}-N-(4-chlorophenyl)-N-methyl-L-phenylalaninamide [ACD/IUPAC Name]
Nα-{[4-(2-Aminobenzoyl)-2-oxo-1-piperazinyl]acetyl}-N-(4-chlorphenyl)-N-methyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-{2-[4-(2-Aminobenzoyl)-2-oxo-1-pipérazinyl]acétyl}-N-(4-chlorophényl)-N-méthyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
(S)-2-(2-(4-(2-aminobenzoyl)-2-oxopiperazin-1-yl)acetamido)-N-(4-chlorophenyl)-N-methyl-3-phenylpropanamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 860.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.1±3.0 kJ/mol
Flash Point: 474.4±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 149.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.15
ACD/KOC (pH 5.5): 480.53
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.15
ACD/KOC (pH 7.4): 480.54
Polar Surface Area: 116 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 409.9±3.0 cm3

Click to predict properties on the Chemicalize site


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