ChemSpider 2D Image | Isopropyl 5-{[(4-{(Z)-[3-methoxy-5-nitro-4-(pentyloxy)benzylidene]amino}-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-furoate | C27H35N5O7S

Isopropyl 5-{[(4-{(Z)-[3-methoxy-5-nitro-4-(pentyloxy)benzylidene]amino}-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-furoate

  • Molecular FormulaC27H35N5O7S
  • Average mass573.661 Da
  • Monoisotopic mass573.225708 Da
  • ChemSpider ID60227351

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Furancarboxylic acid, 5-[[[4-[[(1Z)-[3-methoxy-5-nitro-4-(pentyloxy)phenyl]methylene]amino]-5-propyl-4H-1,2,4-triazol-3-yl]thio]methyl]-, 1-methylethyl ester [ACD/Index Name]
5-{[(4-{(Z)-[3-Méthoxy-5-nitro-4-(pentyloxy)benzylidène]amino}-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]méthyl}-2-furoate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 5-{[(4-{(Z)-[3-methoxy-5-nitro-4-(pentyloxy)benzylidene]amino}-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-furoate [ACD/IUPAC Name]
Isopropyl-5-{[(4-{(Z)-[3-methoxy-5-nitro-4-(pentyloxy)benzyliden]amino}-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-furoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 737.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.9±35.7 °C
Index of Refraction: 1.597
Molar Refractivity: 151.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 63871.12
ACD/KOC (pH 5.5): 95761.76
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 63884.30
ACD/KOC (pH 7.4): 95781.52
Polar Surface Area: 172 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 444.6±7.0 cm3

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