ChemSpider 2D Image | (7Z)-1-(2,4-Dichlorophenyl)-7-(4-fluorobenzylidene)-N-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide | C26H25Cl2FN4O3

(7Z)-1-(2,4-Dichlorophenyl)-7-(4-fluorobenzylidene)-N-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

  • Molecular FormulaC26H25Cl2FN4O3
  • Average mass531.406 Da
  • Monoisotopic mass530.128784 Da
  • ChemSpider ID13114554

  • 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

(7Z)-1-(2,4-Dichlorophenyl)-7-(4-fluorobenzylidene)-N-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide [ACD/IUPAC Name]
(7Z)-1-(2,4-Dichlorophényl)-7-(4-fluorobenzylidène)-N-[(2R)-2-(méthoxyméthyl)-1-pyrrolidinyl]-1,4,6,7-tétrahydropyrano[4,3-c]pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
(7Z)-1-(2,4-Dichlorphenyl)-7-(4-fluorbenzyliden)-N-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
Pyrano[4,3-c]pyrazole-3-carboxamide, 1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylene]-1,4,6,7-tetrahydro-N-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-, (7Z)- [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: 1.658
Molar Refractivity: 136.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1279.40
ACD/KOC (pH 5.5): 5827.18
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1280.42
ACD/KOC (pH 7.4): 5831.82
Polar Surface Area: 69 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 369.9±7.0 cm3

Click to predict properties on the Chemicalize site


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