ChemSpider 2D Image | 2-{[(4-Allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-N-[(2,6-dioxotetrahydro-1(2H)-pyrimidinyl)methyl]hydrazinecarboxamide | C22H29N9O4S

2-{[(4-Allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-N-[(2,6-dioxotetrahydro-1(2H)-pyrimidinyl)methyl]hydrazinecarboxamide

  • Molecular FormulaC22H29N9O4S
  • Average mass515.589 Da
  • Monoisotopic mass515.206299 Da
  • ChemSpider ID102202781

More details:

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

2-{[(4-Allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-N-[(2,6-dioxotetrahydro-1(2H)-pyrimidinyl)methyl]hydrazincarboxamid [German] [ACD/IUPAC Name]
2-{[(4-Allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-N-[(2,6-dioxotetrahydro-1(2H)-pyrimidinyl)methyl]hydrazinecarboxamide [ACD/IUPAC Name]
2-{2-[(4-Allyl-5-{1-[(4-méthylphényl)amino]éthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}-N-[(2,6-dioxotétrahydro-1(2H)-pyrimidinyl)méthyl]hydrazinecarboxamide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[1-[(4-methylphenyl)amino]ethyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[[[(tetrahydro-2,6-dioxo-1(2H)-pyrimidinyl)methyl]amino]carbonyl]hydrazide [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 136.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.30
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.72
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.22
Polar Surface Area: 188 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 356.3±7.0 cm3

Click to predict properties on the Chemicalize site


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