ChemSpider 2D Image | 2-{[3-(1-Azepanylsulfonyl)-4-methylphenyl]amino}-2-oxoethyl N-(3-nitrobenzoyl)glycinate | C24H28N4O8S

2-{[3-(1-Azepanylsulfonyl)-4-methylphenyl]amino}-2-oxoethyl N-(3-nitrobenzoyl)glycinate

  • Molecular FormulaC24H28N4O8S
  • Average mass532.566 Da
  • Monoisotopic mass532.162781 Da
  • ChemSpider ID4026219

More details:

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

2-{[3-(1-Azepanylsulfonyl)-4-methylphenyl]amino}-2-oxoethyl N-(3-nitrobenzoyl)glycinate [ACD/IUPAC Name]
2-{[3-(1-Azepanylsulfonyl)-4-methylphenyl]amino}-2-oxoethyl-N-(3-nitrobenzoyl)glycinat [German] [ACD/IUPAC Name]
Glycine, N-(3-nitrobenzoyl)-, 2-[[3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-4-methylphenyl]amino]-2-oxoethyl ester [ACD/Index Name]
N-(3-Nitrobenzoyl)glycinate de 2-{[3-(1-azépanylsulfonyl)-4-méthylphényl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]

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

MLS000393160 [DBID]
SMR000247472 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 133.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.78
ACD/KOC (pH 5.5): 595.02
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.77
ACD/KOC (pH 7.4): 594.98
Polar Surface Area: 176 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 384.9±3.0 cm3

Click to predict properties on the Chemicalize site


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