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Search term: DMQGYVMAKLBBJM-HKBQPEDESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{[1-(4-Hydroxyphenyl)cyclohexyl]methyl}-alpha-methyl-Nalpha-[(4-nitrophenyl)carbamoyl]-L-tryptophanamide | C32H35N5O5

N-{[1-(4-Hydroxyphenyl)cyclohexyl]methyl}-α-methyl-Nα-[(4-nitrophenyl)carbamoyl]-L-tryptophanamide

  • Molecular FormulaC32H35N5O5
  • Average mass569.651 Da
  • Monoisotopic mass569.263794 Da
  • ChemSpider ID23176400

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-3-propanamide, N-[[1-(4-hydroxyphenyl)cyclohexyl]methyl]-α-methyl-α-[[[(4-nitrophenyl)amino]carbonyl]amino]-, (αS)- [ACD/Index Name]
N-{[1-(4-Hydroxyphenyl)cyclohexyl]methyl}-α-methyl-Nα-[(4-nitrophenyl)carbamoyl]-L-tryptophanamid [German] [ACD/IUPAC Name]
N-{[1-(4-Hydroxyphenyl)cyclohexyl]methyl}-α-methyl-Nα-[(4-nitrophenyl)carbamoyl]-L-tryptophanamide [ACD/IUPAC Name]
N-{[1-(4-Hydroxyphényl)cyclohexyl]méthyl}-α-méthyl-Nα-[(4-nitrophényl)carbamoyl]-L-tryptophaneamide [French] [ACD/IUPAC Name]
(S)-N-[1-(4-Hydroxy-phenyl)-cyclohexylmethyl]-3-(1H-indol-3-yl)-2-methyl-2-[3-(4-nitro-phenyl)-ureido]-propionamide
CHEMBL87846

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

Density: 1.3±0.1 g/cm3
Boiling Point: 840.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 461.9±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 161.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14597.71
ACD/KOC (pH 5.5): 33273.83
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14574.55
ACD/KOC (pH 7.4): 33221.05
Polar Surface Area: 152 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 431.8±3.0 cm3

Click to predict properties on the Chemicalize site


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