ChemSpider 2D Image | 3-Cyano-3-(1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl N-[(4-chlorophenyl)sulfonyl]-L-methioninate | C24H25ClN4O5S2

3-Cyano-3-(1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl N-[(4-chlorophenyl)sulfonyl]-L-methioninate

  • Molecular FormulaC24H25ClN4O5S2
  • Average mass549.062 Da
  • Monoisotopic mass548.095459 Da
  • ChemSpider ID1859461

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Cyan-3-(1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-yliden)-2-oxopropyl-N-[(4-chlorphenyl)sulfonyl]-L-methioninat [German] [ACD/IUPAC Name]
3-Cyano-3-(1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-2-oxopropyl N-[(4-chlorophenyl)sulfonyl]-L-methioninate [ACD/IUPAC Name]
L-Methionine, N-[(4-chlorophenyl)sulfonyl]-, 3-cyano-3-(1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)-2-oxopropyl ester [ACD/Index Name]
N-[(4-Chlorophényl)sulfonyl]-L-méthioninate de 3-cyano-3-(1,3-diméthyl-1,3-dihydro-2H-benzimidazol-2-ylidène)-2-oxopropyle [French] [ACD/IUPAC Name]

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

ZINC03374693 [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: 691.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.7±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1153.04
ACD/KOC (pH 5.5): 5403.98
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 854.54
ACD/KOC (pH 7.4): 4005.00
Polar Surface Area: 153 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 396.8±3.0 cm3

Click to predict properties on the Chemicalize site


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