ChemSpider 2D Image | CCT241533 | C23H27FN4O4

CCT241533

  • Molecular FormulaC23H27FN4O4
  • Average mass442.483 Da
  • Monoisotopic mass442.201630 Da
  • ChemSpider ID34980783
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(6Z)-4-Fluor-6-[(4Z)-4-{[(3S,4R)-4-(2-hydroxy-2-propanyl)-3-pyrrolidinyl]imino}-6,7-dimethoxy-3,4-dihydro-2(1H)-chinazolinyliden]-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6Z)-4-Fluoro-6-[(4Z)-4-{[(3S,4R)-4-(2-hydroxy-2-propanyl)-3-pyrrolidinyl]imino}-6,7-dimethoxy-3,4-dihydro-2(1H)-quinazolinylidene]-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6Z)-4-Fluoro-6-[(4Z)-4-{[(3S,4R)-4-(2-hydroxy-2-propanyl)-3-pyrrolidinyl]imino}-6,7-diméthoxy-3,4-dihydro-2(1H)-quinazolinylidène]-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 6-[(4Z)-3,4-dihydro-4-[[(3S,4R)-4-(1-hydroxy-1-methylethyl)-3-pyrrolidinyl]imino]-6,7-dimethoxy-2(1H)-quinazolinylidene]-4-fluoro-, (6Z)- [ACD/Index Name]
CCT241533
(6Z)-4-fluoro-6-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6,7-dimethoxy-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
1-(2,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidine
CCT-241533
http:////www.amadischem.com/proen/474313/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 592.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 312.1±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 114.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): -2.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 319.6±7.0 cm3

Click to predict properties on the Chemicalize site






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