ChemSpider 2D Image | (2S)-2-Cyclohexyl-2-({3-[(mesitylcarbamoyl)amino]-2-naphthoyl}amino)propanoic acid | C30H35N3O4

(2S)-2-Cyclohexyl-2-({3-[(mesitylcarbamoyl)amino]-2-naphthoyl}amino)propanoic acid

  • Molecular FormulaC30H35N3O4
  • Average mass501.617 Da
  • Monoisotopic mass501.262756 Da
  • ChemSpider ID24700213

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Cyclohexyl-2-({3-[(mesitylcarbamoyl)amino]-2-naphthoyl}amino)propanoic acid [ACD/IUPAC Name]
(2S)-2-Cyclohexyl-2-({3-[(mesitylcarbamoyl)amino]-2-naphthoyl}amino)propansäure [German] [ACD/IUPAC Name]
2-Cyclohexyl-N-[(3-{[(2,4,6-Trimethylphenyl)carbamoyl]amino}naphthalen-2-Yl)carbonyl]-D-Alanine
Acide (2S)-2-cyclohexyl-2-({3-[(mésitylcarbamoyl)amino]-2-naphtoyl}amino)propanoïque [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, α-methyl-α-[[[3-[[[(2,4,6-trimethylphenyl)amino]carbonyl]amino]-2-naphthalenyl]carbonyl]amino]-, (αS)- [ACD/Index Name]
25D
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL482146/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 651.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 347.9±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.44
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 2042.69
ACD/KOC (pH 5.5): 3862.39
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 32.64
ACD/KOC (pH 7.4): 61.72
Polar Surface Area: 108 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 398.9±3.0 cm3

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