ChemSpider 2D Image | 5-{3-[4-(Aminomethyl)phenoxy]propyl}-2-[(8Z)-8-(1,3-benzothiazol-2-ylhydrazono)-5,6,7,8-tetrahydro-2-naphthalenyl]-1,3-thiazole-4-carboxylic acid | C31H29N5O3S2

5-{3-[4-(Aminomethyl)phenoxy]propyl}-2-[(8Z)-8-(1,3-benzothiazol-2-ylhydrazono)-5,6,7,8-tetrahydro-2-naphthalenyl]-1,3-thiazole-4-carboxylic acid

  • Molecular FormulaC31H29N5O3S2
  • Average mass583.724 Da
  • Monoisotopic mass583.171204 Da
  • ChemSpider ID30687756

  • Double-bond stereo - Double-bond stereo

More details:

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

4-Thiazolecarboxylic acid, 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8Z)-8-[2-(2-benzothiazolyl)hydrazinylidene]-5,6,7,8-tetrahydro-2-naphthalenyl]- [ACD/Index Name]
5-{3-[4-(Aminomethyl)phenoxy]propyl}-2-[(8Z)-8-(1,3-benzothiazol-2-ylhydrazono)-5,6,7,8-tetrahydro-2-naphthalenyl]-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
5-{3-[4-(Aminomethyl)phenoxy]propyl}-2-[(8Z)-8-(1,3-benzothiazol-2-ylhydrazono)-5,6,7,8-tetrahydro-2-naphthalinyl]-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
Acide 5-{3-[4-(aminométhyl)phénoxy]propyl}-2-[(8Z)-8-(1,3-benzothiazol-2-ylhydrazono)-5,6,7,8-tétrahydro-2-naphtalényl]-1,3-thiazole-4-carboxylique [French] [ACD/IUPAC Name]
1431866-33-9 [RN]
WEHI-539

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

Density: 1.4±0.1 g/cm3
Boiling Point: 827.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.1±3.0 kJ/mol
Flash Point: 454.3±37.1 °C
Index of Refraction: 1.737
Molar Refractivity: 163.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 79.34
ACD/KOC (pH 5.5): 154.28
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 80.05
ACD/KOC (pH 7.4): 155.66
Polar Surface Area: 179 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 405.3±7.0 cm3

Click to predict properties on the Chemicalize site


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