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Search term: FAOPTHGFLLUMQK-YTTGMZPUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{[1-(4-Methoxyphenyl)cyclohexyl]methyl}-alpha-methyl-Nalpha-[(4-nitrophenyl)carbamoyl]-L-tryptophanamide | C33H37N5O5

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

  • Molecular FormulaC33H37N5O5
  • Average mass583.677 Da
  • Monoisotopic mass583.279480 Da
  • ChemSpider ID23176240

  • 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-methoxyphenyl)cyclohexyl]methyl]-α-methyl-α-[[[(4-nitrophenyl)amino]carbonyl]amino]-, (αS)- [ACD/Index Name]
N-{[1-(4-Methoxyphenyl)cyclohexyl]methyl}-α-methyl-Nα-[(4-nitrophenyl)carbamoyl]-L-tryptophanamid [German] [ACD/IUPAC Name]
N-{[1-(4-Methoxyphenyl)cyclohexyl]methyl}-α-methyl-Nα-[(4-nitrophenyl)carbamoyl]-L-tryptophanamide [ACD/IUPAC Name]
N-{[1-(4-Méthoxyphényl)cyclohexyl]méthyl}-α-méthyl-Nα-[(4-nitrophényl)carbamoyl]-L-tryptophaneamide [French] [ACD/IUPAC Name]
(S)-3-(1H-Indol-3-yl)-N-[1-(4-methoxy-phenyl)-cyclohexylmethyl]-2-methyl-2-[3-(4-nitro-phenyl)-ureido]-propionamide
CHEMBL312926
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL312926/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 822.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 450.9±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 166.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 30809.63
ACD/KOC (pH 5.5): 56830.93
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 30785.22
ACD/KOC (pH 7.4): 56785.90
Polar Surface Area: 141 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 457.4±3.0 cm3

Click to predict properties on the Chemicalize site


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