Found 25 results

Search term: MF = 'C_{26}H_{20}BrNO_{3}S'
ChemSpider 2D Image | Ethyl 2-[(2-bromobenzoyl)amino]-4-(1,2-dihydro-5-acenaphthylenyl)-3-thiophenecarboxylate | C26H20BrNO3S

Ethyl 2-[(2-bromobenzoyl)amino]-4-(1,2-dihydro-5-acenaphthylenyl)-3-thiophenecarboxylate

  • Molecular FormulaC26H20BrNO3S
  • Average mass506.411 Da
  • Monoisotopic mass505.034729 Da
  • ChemSpider ID1841832

More details:

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

2-[(2-Bromobenzoyl)amino]-4-(1,2-dihydro-5-acénaphtylényl)-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[(2-bromobenzoyl)amino]-4-(1,2-dihydro-5-acenaphthylenyl)-, ethyl ester [ACD/Index Name]
Ethyl 2-[(2-bromobenzoyl)amino]-4-(1,2-dihydro-5-acenaphthylenyl)-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-[(2-brombenzoyl)amino]-4-(1,2-dihydro-5-acenaphthylenyl)-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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

ZINC03350303 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 572.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 300.0±30.1 °C
Index of Refraction: 1.716
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.34
ACD/LogD (pH 5.5): 7.23
ACD/BCF (pH 5.5): 183782.70
ACD/KOC (pH 5.5): 204063.50
ACD/LogD (pH 7.4): 7.23
ACD/BCF (pH 7.4): 183775.23
ACD/KOC (pH 7.4): 204055.22
Polar Surface Area: 84 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 339.1±3.0 cm3

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