ChemSpider 2D Image | (E)-2-(8-(2-(Benzo[d]thiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)-5-(4-phenylbutyl)thiazole-4-carboxylic acid | C31H28N4O2S2

(E)-2-(8-(2-(Benzo[d]thiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)-5-(4-phenylbutyl)thiazole-4-carboxylic acid

  • Molecular FormulaC31H28N4O2S2
  • Average mass552.710 Da
  • Monoisotopic mass552.165344 Da
  • ChemSpider ID28542163

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-2-(8-(2-(Benzo[d]thiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)-5-(4-phenylbutyl)thiazole-4-carboxylic acid
2-[(8e)-8-(1,3-Benzothiazol-2-Ylhydrazinylidene)-6,7-Dihydro-5h-Naphthalen-2-Yl]-5-(4-Phenylbutyl)-1,3-Thiazole-4-Carboxylic Acid
2-[(8E)-8-(1,3-Benzothiazol-2-ylhydrazono)-5,6,7,8-tetrahydro-2-naphthalenyl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
2-[(8E)-8-(1,3-Benzothiazol-2-ylhydrazono)-5,6,7,8-tetrahydro-2-naphthalinyl]-5-(4-phenylbutyl)-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 2-[(8E)-8-[2-(2-benzothiazolyl)hydrazinylidene]-5,6,7,8-tetrahydro-2-naphthalenyl]-5-(4-phenylbutyl)- [ACD/Index Name]
Acide 2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazono)-5,6,7,8-tétrahydro-2-naphtalényl]-5-(4-phénylbutyl)-1,3-thiazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 765.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.5±35.7 °C
Index of Refraction: 1.725
Molar Refractivity: 159.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.98
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 6905.82
ACD/KOC (pH 5.5): 5805.34
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 430.60
ACD/KOC (pH 7.4): 361.98
Polar Surface Area: 144 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 402.2±7.0 cm3

Click to predict properties on the Chemicalize site


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