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Search term: YIVURXAOLPNGNO-HKBQPEDESA-N (Found by InChIKey (full match))

ChemSpider 2D Image | alpha-Methyl-Nalpha-[(4-nitrophenyl)carbamoyl]-N-[(1-phenylcyclohexyl)methyl]-L-tryptophanamide | C32H35N5O4

α-Methyl-Nα-[(4-nitrophenyl)carbamoyl]-N-[(1-phenylcyclohexyl)methyl]-L-tryptophanamide

  • Molecular FormulaC32H35N5O4
  • Average mass553.651 Da
  • Monoisotopic mass553.268921 Da
  • ChemSpider ID23176460
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Indole-3-propanamide, α-methyl-α-[[[(4-nitrophenyl)amino]carbonyl]amino]-N-[(1-phenylcyclohexyl)methyl]-, (αS)- [ACD/Index Name]
α-Methyl-Nα-[(4-nitrophenyl)carbamoyl]-N-[(1-phenylcyclohexyl)methyl]-L-tryptophanamid [German] [ACD/IUPAC Name]
α-Methyl-Nα-[(4-nitrophenyl)carbamoyl]-N-[(1-phenylcyclohexyl)methyl]-L-tryptophanamide [ACD/IUPAC Name]
α-Méthyl-Nα-[(4-nitrophényl)carbamoyl]-N-[(1-phénylcyclohexyl)méthyl]-L-tryptophaneamide [French] [ACD/IUPAC Name]
(S)-3-(1H-Indol-3-yl)-2-methyl-2-[3-(4-nitro-phenyl)-ureido]-N-(1-phenyl-cyclohexylmethyl)-propionamide
CHEMBL86370

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

Density: 1.3±0.1 g/cm3
Boiling Point: 802.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 439.0±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 159.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 31020.32
ACD/KOC (pH 5.5): 57108.84
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 30995.67
ACD/KOC (pH 7.4): 57063.46
Polar Surface Area: 132 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 433.4±3.0 cm3

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