ChemSpider 2D Image | (2S)-[(3-{[(2-Chloro-6-methylphenyl)carbamoyl]amino}-2-naphthoyl)amino](phenyl)acetic acid | C27H22ClN3O4

(2S)-[(3-{[(2-Chloro-6-methylphenyl)carbamoyl]amino}-2-naphthoyl)amino](phenyl)acetic acid

  • Molecular FormulaC27H22ClN3O4
  • Average mass487.934 Da
  • Monoisotopic mass487.129883 Da
  • ChemSpider ID25060743

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-[(3-{[(2-Chlor-6-methylphenyl)carbamoyl]amino}-2-naphthoyl)amino](phenyl)essigsäure [German] [ACD/IUPAC Name]
(2S)-[(3-{[(2-Chloro-6-methylphenyl)carbamoyl]amino}-2-naphthoyl)amino](phenyl)acetic acid [ACD/IUPAC Name]
(2s)-{[(3-{[(2-Chloro-6-Methylphenyl)carbamoyl]amino}naphthalen-2-Yl)carbonyl]amino}(Phenyl)ethanoic Acid
Acide (2S)-[(3-{[(2-chloro-6-méthylphényl)carbamoyl]amino}-2-naphtoyl)amino](phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[[3-[[[(2-chloro-6-methylphenyl)amino]carbonyl]amino]-2-naphthalenyl]carbonyl]amino]-, (αS)- [ACD/Index Name]

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

055 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 653.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.0±31.5 °C
Index of Refraction: 1.724
Molar Refractivity: 136.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 27.78
ACD/KOC (pH 5.5): 65.34
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 6.24
Polar Surface Area: 108 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 345.1±3.0 cm3

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