ChemSpider 2D Image | 2-Methyl-2-propanyl 1-(4-{(Z)-[(2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)hydrazono]methyl}phenoxy)-3,6,9,12-tetraoxapentadecan-15-oate | C37H51N5O9S

2-Methyl-2-propanyl 1-(4-{(Z)-[(2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)hydrazono]methyl}phenoxy)-3,6,9,12-tetraoxapentadecan-15-oate

  • Molecular FormulaC37H51N5O9S
  • Average mass741.894 Da
  • Monoisotopic mass741.340759 Da
  • ChemSpider ID100369094

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(4-{(Z)-[(2-{[4-Allyl-5-(phénoxyméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)hydrazono]méthyl}phénoxy)-3,6,9,12-tétraoxapentadécan-15-oate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-(4-{(Z)-[(2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)hydrazono]methyl}phenoxy)-3,6,9,12-tetraoxapentadecan-15-oate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-(4-{(Z)-[(2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoyl)hydrazono]methyl}phenoxy)-3,6,9,12-tetraoxapentadecan-15-oat [German] [ACD/IUPAC Name]
3,6,9,12-Tetraoxapentadecan-15-oic acid, 1-[4-[(Z)-[2-[1-oxo-2-[[5-(phenoxymethyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]propyl]hydrazinylidene]methyl]phenoxy]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.553
Molar Refractivity: 200.4±0.5 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2516.75
ACD/KOC (pH 5.5): 9460.46
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2516.73
ACD/KOC (pH 7.4): 9460.39
Polar Surface Area: 179 Å2
Polarizability: 79.5±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 626.1±7.0 cm3

Click to predict properties on the Chemicalize site


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