ChemSpider 2D Image | 2-{[(4-{(2E)-2-[(7-Ethyl-1H-indol-3-yl)methylene]hydrazino}-3-nitrophenyl)sulfonyl]amino}benzoic acid | C24H21N5O6S

2-{[(4-{(2E)-2-[(7-Ethyl-1H-indol-3-yl)methylene]hydrazino}-3-nitrophenyl)sulfonyl]amino}benzoic acid

  • Molecular FormulaC24H21N5O6S
  • Average mass507.518 Da
  • Monoisotopic mass507.121246 Da
  • ChemSpider ID18087183

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(4-{(2E)-2-[(7-Ethyl-1H-indol-3-yl)methylen]hydrazino}-3-nitrophenyl)sulfonyl]amino}benzoesäure [German] [ACD/IUPAC Name]
2-{[(4-{(2E)-2-[(7-Ethyl-1H-indol-3-yl)methylene]hydrazino}-3-nitrophenyl)sulfonyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(4-{(2E)-2-[(7-éthyl-1H-indol-3-yl)méthylène]hydrazino}-3-nitrophényl)sulfonyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[4-[(2E)-2-[(7-ethyl-1H-indol-3-yl)methylene]hydrazinyl]-3-nitrophenyl]sulfonyl]amino]- [ACD/Index Name]
2-{4-[(E)-2-[(7-ETHYL-1H-INDOL-3-YL)METHYLIDENE]HYDRAZIN-1-YL]-3-NITROBENZENESULFONAMIDO}BENZOIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 763.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 415.5±35.7 °C
Index of Refraction: 1.698
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 225.34
ACD/KOC (pH 5.5): 406.59
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 19.24
ACD/KOC (pH 7.4): 34.72
Polar Surface Area: 178 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 64.6±7.0 dyne/cm
Molar Volume: 342.5±7.0 cm3

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