ChemSpider 2D Image | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime | C20H18FN5O

(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime

  • Molecular FormulaC20H18FN5O
  • Average mass363.388 Da
  • Monoisotopic mass363.149536 Da
  • ChemSpider ID25058738

  • 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

(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime
(5E,7S)-7-[4-Fluor-2-(3-pyridinyl)phenyl]-5-(hydroxyimino)-4-methyl-5,6,7,8-tetrahydro-2-chinazolinamin [German] [ACD/IUPAC Name]
(5E,7S)-7-[4-Fluoro-2-(3-pyridinyl)phenyl]-5-(hydroxyimino)-4-methyl-5,6,7,8-tetrahydro-2-quinazolinamine [ACD/IUPAC Name]
(5E,7S)-7-[4-Fluoro-2-(3-pyridinyl)phényl]-5-(hydroxyimino)-4-méthyl-5,6,7,8-tétrahydro-2-quinazolinamine [French] [ACD/IUPAC Name]
5(6H)-Quinazolinone, 2-amino-7-[4-fluoro-2-(3-pyridinyl)phenyl]-7,8-dihydro-4-methyl-, oxime, (5E,7S)- [ACD/Index Name]
(5E,7S)-7-[4-fluoro-2-(pyridin-3-yl)phenyl]-5-(hydroxyimino)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
(5E,7S)-7-[4-fluoro-2-(pyridin-3-yl)phenyl]-5-(hydroxyimino)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
1313379-34-8 [RN]
Hsp90-IN-S89

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

Density: 1.4±0.1 g/cm3
Boiling Point: 627.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 333.1±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 99.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 79.69
ACD/KOC (pH 5.5): 783.81
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 85.21
ACD/KOC (pH 7.4): 838.11
Polar Surface Area: 97 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 255.3±7.0 cm3

Click to predict properties on the Chemicalize site


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