ChemSpider 2D Image | 2-(3-Nitrophenyl)-2-oxoethyl 3-({[(2-furylmethyl)sulfanyl]acetyl}amino)-4-methoxybenzoate | C23H20N2O8S

2-(3-Nitrophenyl)-2-oxoethyl 3-({[(2-furylmethyl)sulfanyl]acetyl}amino)-4-methoxybenzoate

  • Molecular FormulaC23H20N2O8S
  • Average mass484.478 Da
  • Monoisotopic mass484.094025 Da
  • ChemSpider ID32082078

More details:

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

2-(3-Nitrophenyl)-2-oxoethyl 3-({[(2-furylmethyl)sulfanyl]acetyl}amino)-4-methoxybenzoate [ACD/IUPAC Name]
2-(3-Nitrophenyl)-2-oxoethyl-3-({[(2-furylmethyl)sulfanyl]acetyl}amino)-4-methoxybenzoat [German] [ACD/IUPAC Name]
3-({2-[(2-Furylméthyl)sulfanyl]acétyl}amino)-4-méthoxybenzoate de 2-(3-nitrophényl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2-[(2-furanylmethyl)thio]acetyl]amino]-4-methoxy-, 2-(3-nitrophenyl)-2-oxoethyl ester [ACD/Index Name]
2-(3-nitrophenyl)-2-oxoethyl 3-({[(2-furylmethyl)thio]acetyl}amino)-4-methoxybenzoate
2-(3-NITROPHENYL)-2-OXOETHYL 3-(2-{[(FURAN-2-YL)METHYL]SULFANYL}ACETAMIDO)-4-METHOXYBENZOATE
2-(3-NITROPHENYL)-2-OXOETHYL 3-{2-[(FURAN-2-YLMETHYL)SULFANYL]ACETAMIDO}-4-METHOXYBENZOATE
benzoic acid, 3-[[[(2-furanylmethyl)thio]acetyl]amino]-4-methoxy-, 2-(3-nitrophenyl)-2-oxoethyl ester
MFCD28164870

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.6±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 124.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1112.26
ACD/KOC (pH 5.5): 5273.18
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1112.27
ACD/KOC (pH 7.4): 5273.20
Polar Surface Area: 166 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 346.1±3.0 cm3

Click to predict properties on the Chemicalize site


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