ChemSpider 2D Image | 2-{[4-Allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[2-chloro-5-methoxy-4-(1-pyrrolidinyl)phenyl]methylene}propanehydrazide | C27H31ClN6O3S

2-{[4-Allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[2-chloro-5-methoxy-4-(1-pyrrolidinyl)phenyl]methylene}propanehydrazide

  • Molecular FormulaC27H31ClN6O3S
  • Average mass555.091 Da
  • Monoisotopic mass554.186707 Da
  • ChemSpider ID100368435

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[4-Allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[2-chlor-5-methoxy-4-(1-pyrrolidinyl)phenyl]methylen}propanhydrazid [German] [ACD/IUPAC Name]
2-{[4-Allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[2-chloro-5-methoxy-4-(1-pyrrolidinyl)phenyl]methylene}propanehydrazide [ACD/IUPAC Name]
2-{[4-Allyl-5-(phénoxyméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[2-chloro-5-méthoxy-4-(1-pyrrolidinyl)phényl]méthylène}propanehydrazide [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[5-(phenoxymethyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[2-chloro-5-methoxy-4-(1-pyrrolidinyl)phenyl]methylene]hydrazide [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8915.66
ACD/KOC (pH 5.5): 23313.79
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9022.79
ACD/KOC (pH 7.4): 23593.88
Polar Surface Area: 119 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 424.4±7.0 cm3

Click to predict properties on the Chemicalize site


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