ChemSpider 2D Image | S-Benzyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)cysteinamide | C20H20N2O3S

S-Benzyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)cysteinamide

  • Molecular FormulaC20H20N2O3S
  • Average mass368.449 Da
  • Monoisotopic mass368.119476 Da
  • ChemSpider ID28565744

More details:






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

Propanamide, 2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-3-[(phenylmethyl)thio]- [ACD/Index Name]
S-Benzyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)cysteinamid [German] [ACD/IUPAC Name]
S-Benzyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)cysteinamide [ACD/IUPAC Name]
S-Benzyl-N-(4-méthyl-2-oxo-2H-chromén-7-yl)cystéinamide [French] [ACD/IUPAC Name]
80173-27-9 [RN]
MFCD27976658
S-BENZYL-L-CYSTEINE 7-AMIDO-4-METHYLCOUMARIN

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 328.1±31.5 °C
Index of Refraction: 1.665
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 14.80
ACD/KOC (pH 5.5): 161.32
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.30
ACD/KOC (pH 7.4): 624.42
Polar Surface Area: 107 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 279.9±3.0 cm3

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