ChemSpider 2D Image | N'-[({5-[(2E)-2-{1-[(3s,5s,7s)-Adamantan-1-yl]ethylidene}hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-4-chlorobenzohydrazide | C23H28ClN7O2S

N'-[({5-[(2E)-2-{1-[(3s,5s,7s)-Adamantan-1-yl]ethylidene}hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-4-chlorobenzohydrazide

  • Molecular FormulaC23H28ClN7O2S
  • Average mass502.032 Da
  • Monoisotopic mass501.171356 Da
  • ChemSpider ID62566998

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzoic acid, 4-chloro-, 2-[2-[[5-[(2E)-2-(1-tricyclo[3.3.1.13,7]dec-1-ylethylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]thio]acetyl]hydrazide [ACD/Index Name]
N'-[({5-[(2E)-2-{1-[(3s,5s,7s)-Adamantan-1-yl]ethyliden}hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-4-chlorbenzohydrazid [German] [ACD/IUPAC Name]
N'-[({5-[(2E)-2-{1-[(3s,5s,7s)-Adamantan-1-yl]ethylidene}hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-4-chlorobenzohydrazide [ACD/IUPAC Name]
N'-[2-({5-[(2E)-2-{1-[(3s,5s,7s)-Adamantan-1-yl]éthylidène}hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)acétyl]-4-chlorobenzohydrazide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.774
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 818.70
ACD/KOC (pH 5.5): 4224.32
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 821.25
ACD/KOC (pH 7.4): 4237.49
Polar Surface Area: 149 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 67.2±7.0 dyne/cm
Molar Volume: 315.7±7.0 cm3

Click to predict properties on the Chemicalize site


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