ChemSpider 2D Image | 4-(4-Chlorophenyl)-N-[(2S)-1-(1H-indol-6-ylamino)-1-oxo-2-propanyl]-1-piperazinecarboxamide | C22H24ClN5O2

4-(4-Chlorophenyl)-N-[(2S)-1-(1H-indol-6-ylamino)-1-oxo-2-propanyl]-1-piperazinecarboxamide

  • Molecular FormulaC22H24ClN5O2
  • Average mass425.911 Da
  • Monoisotopic mass425.161865 Da
  • ChemSpider ID30673450
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-Piperazinecarboxamide, 4-(4-chlorophenyl)-N-[(1S)-2-(1H-indol-6-ylamino)-1-methyl-2-oxoethyl]- [ACD/Index Name]
4-(4-Chlorophenyl)-N-[(2S)-1-(1H-indol-6-ylamino)-1-oxo-2-propanyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
4-(4-Chlorophényl)-N-[(2S)-1-(1H-indol-6-ylamino)-1-oxo-2-propanyl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-(4-Chlorphenyl)-N-[(2S)-1-(1H-indol-6-ylamino)-1-oxo-2-propanyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
(2S)-2-[4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBONYLAMINO]-N-(1H-INDOL-6-YL)PROPANAMIDE
(2S)-2-{[4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBONYL]AMINO}-N-(1H-INDOL-6-YL)PROPANAMIDE
1314016-69-7 [RN]
4-(4-chlorophenyl)-N-[(2S)-1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]piperazine-1-carboxamide
C22H24ClN5O2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 786.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 429.5±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 107.29
ACD/KOC (pH 5.5): 987.52
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 107.75
ACD/KOC (pH 7.4): 991.74
Polar Surface Area: 80 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 311.6±3.0 cm3

Click to predict properties on the Chemicalize site






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