ChemSpider 2D Image | 2-[(4-Amino-5-{(2E)-2-[4-(diethylamino)benzylidene]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide | C23H30N8OS

2-[(4-Amino-5-{(2E)-2-[4-(diethylamino)benzylidene]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide

  • Molecular FormulaC23H30N8OS
  • Average mass466.602 Da
  • Monoisotopic mass466.226318 Da
  • ChemSpider ID62405363

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(4-Amino-5-{(2E)-2-[4-(diethylamino)benzyliden]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamid [German] [ACD/IUPAC Name]
2-[(4-Amino-5-{(2E)-2-[4-(diethylamino)benzylidene]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide [ACD/IUPAC Name]
2-[(4-Amino-5-{(2E)-2-[4-(diéthylamino)benzylidène]hydrazino}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phényléthyl]acétamide [French] [ACD/IUPAC Name]
2-{[(5E)-4-Amino-5-{(2E)-[4-(diethylamino)benzyliden]hydrazono}-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1R)-1-phenylethyl]acetamid [German] [ACD/IUPAC Name]
2-{[(5E)-4-Amino-5-{(2E)-[4-(diethylamino)benzylidene]hydrazono}-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1R)-1-phenylethyl]acetamide [ACD/IUPAC Name]
2-{[(5E)-4-Amino-5-{(2E)-[4-(diéthylamino)benzylidène]hydrazono}-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}-N-[(1R)-1-phényléthyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[(5E)-4-amino-5-[(2E)-2-[[4-(diethylamino)phenyl]methylene]hydrazinylidene]-4,5-dihydro-1H-1,2,4-triazol-3-yl]thio]-N-[(1R)-1-phenylethyl]- [ACD/Index Name]
Acetamide, 2-[[4-amino-5-[(2E)-2-[[4-(diethylamino)phenyl]methylene]hydrazinyl]-4H-1,2,4-triazol-3-yl]thio]-N-[(1R)-1-phenylethyl]- [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: 1.649
Molar Refractivity: 134.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 27.91
ACD/KOC (pH 5.5): 299.51
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.69
ACD/KOC (pH 7.4): 661.94
Polar Surface Area: 136 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 368.0±7.0 cm3

Click to predict properties on the Chemicalize site


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