ChemSpider 2D Image | 2-Methyl-2-propanyl (4-methoxyphenyl)[(Z)-{(2R)-2-[(R)-{[(S)-(4-methylphenyl)sulfinyl]amino}(phenyl)methyl]cyclohexylidene}methyl]carbamate | C33H40N2O4S

2-Methyl-2-propanyl (4-methoxyphenyl)[(Z)-{(2R)-2-[(R)-{[(S)-(4-methylphenyl)sulfinyl]amino}(phenyl)methyl]cyclohexylidene}methyl]carbamate

  • Molecular FormulaC33H40N2O4S
  • Average mass560.747 Da
  • Monoisotopic mass560.270874 Da
  • ChemSpider ID9401814

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4-Méthoxyphényl)[(Z)-{(2R)-2-[(R)-{[(S)-(4-méthylphényl)sulfinyl]amino}(phényl)méthyl]cyclohexylidène}méthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (4-methoxyphenyl)[(Z)-{(2R)-2-[(R)-{[(S)-(4-methylphenyl)sulfinyl]amino}(phenyl)methyl]cyclohexylidene}methyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4-methoxyphenyl)[(Z)-{(2R)-2-[(R)-{[(S)-(4-methylphenyl)sulfinyl]amino}(phenyl)methyl]cyclohexyliden}methyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-[(R)-[[(S)-(4-methylphenyl)sulfinyl]amino]phenylmethyl]cyclohexylidene]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 702.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.8±35.7 °C
Index of Refraction: 1.627
Molar Refractivity: 163.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18932.85
ACD/KOC (pH 5.5): 40106.59
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18926.20
ACD/KOC (pH 7.4): 40092.50
Polar Surface Area: 87 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 460.6±5.0 cm3

Click to predict properties on the Chemicalize site


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