ChemSpider 2D Image | MFCD03416118 | C30H31N5O5S

MFCD03416118

  • Molecular FormulaC30H31N5O5S
  • Average mass573.663 Da
  • Monoisotopic mass573.204590 Da
  • ChemSpider ID7942907

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Methoxy-4-[(E)-({[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl 4-butoxybenzoate [ACD/IUPAC Name]
2-Methoxy-4-[(E)-({[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl-4-butoxybenzoat [German] [ACD/IUPAC Name]
2-methoxy-4-[(E)-({[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}hydrazono)methyl]phenyl 4-butoxybenzoate
4-Butoxybenzoate de 2-méthoxy-4-[(E)-({2-[(5-méthyl-4-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}hydrazono)méthyl]phényle [French] [ACD/IUPAC Name]
Benzoic acid, 4-butoxy-, 2-methoxy-4-[(E)-[2-[2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl]hydrazinylidene]methyl]phenyl ester [ACD/Index Name]
MFCD03416118

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 159.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 17839.51
ACD/KOC (pH 5.5): 38433.68
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 17838.39
ACD/KOC (pH 7.4): 38431.28
Polar Surface Area: 142 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 456.2±7.0 cm3

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