ChemSpider 2D Image | 2-({5-[(4-Nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}amino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate | C20H17N5O9S2

2-({5-[(4-Nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}amino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate

  • Molecular FormulaC20H17N5O9S2
  • Average mass535.507 Da
  • Monoisotopic mass535.046753 Da
  • ChemSpider ID3633721

More details:

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

2-({5-[(4-Nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}amino)-2-oxoethyl 4-(ethylamino)-3-nitrobenzoate [ACD/IUPAC Name]
2-({5-[(4-Nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}amino)-2-oxoethyl-4-(ethylamino)-3-nitrobenzoat [German] [ACD/IUPAC Name]
4-(Éthylamino)-3-nitrobenzoate de 2-({5-[(4-nitrophényl)sulfonyl]-1,3-thiazol-2-yl}amino)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(ethylamino)-3-nitro-, 2-[[5-[(4-nitrophenyl)sulfonyl]-2-thiazolyl]amino]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 183.46
ACD/KOC (pH 5.5): 1363.87
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 13.20
ACD/KOC (pH 7.4): 98.11
Polar Surface Area: 243 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 82.0±3.0 dyne/cm
Molar Volume: 335.5±3.0 cm3

Click to predict properties on the Chemicalize site


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