ChemSpider 2D Image | N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-3-({(2Z)-2-[(5-methyl-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl)methylene]hydrazino}carbonyl)-1,2-oxazole-4-carboxamide | C28H22ClF3N6O3

N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-3-({(2Z)-2-[(5-methyl-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl)methylene]hydrazino}carbonyl)-1,2-oxazole-4-carboxamide

  • Molecular FormulaC28H22ClF3N6O3
  • Average mass582.961 Da
  • Monoisotopic mass582.139404 Da
  • ChemSpider ID101654744

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Isoxazolecarboxylic acid, 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-5-methyl-, 2-[(1Z)-(10,11-dihydro-5-methyl-5H-dibenz[b,f]azepin-2-yl)methylene]hydrazide [ACD/Index Name]
N-[3-Chlor-5-(trifluormethyl)-2-pyridinyl]-5-methyl-3-({(2Z)-2-[(5-methyl-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl)methylen]hydrazino}carbonyl)-1,2-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-3-({(2Z)-2-[(5-methyl-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl)methylene]hydrazino}carbonyl)-1,2-oxazole-4-carboxamide [ACD/IUPAC Name]
N-[3-Chloro-5-(trifluorométhyl)-2-pyridinyl]-5-méthyl-3-({(2Z)-2-[(5-méthyl-10,11-dihydro-5H-dibenzo[b,f]azépin-2-yl)méthylène]hydrazino}carbonyl)-1,2-oxazole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 145.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1322.38
ACD/KOC (pH 5.5): 5968.26
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1309.83
ACD/KOC (pH 7.4): 5911.64
Polar Surface Area: 113 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 396.9±7.0 cm3

Click to predict properties on the Chemicalize site


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